data_1fvy_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 1fvy _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.799 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 -36.24 0.07 Allowed 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 118.504 1.152 . . . . 0.0 112.841 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -50.39 -43.71 54.65 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -22.95 -73.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.271 0 C-N-CA 125.557 1.543 . . . . 0.0 113.967 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -169.31 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 118.767 0.712 . . . . 0.0 110.958 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -170.24 -56.84 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptp -90.27 -19.04 24.57 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.0 mt-10 -63.55 -44.52 93.9 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.643 -0.66 . . . . 0.0 110.509 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.02 -33.96 76.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.577 178.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.13 -49.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.703 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.7 pt-20 -77.28 -31.41 54.83 Favored 'General case' 0 N--CA 1.508 2.445 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.91 -36.1 82.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.53 -0.732 . . . . 0.0 112.192 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.43 -10.09 59.35 Favored 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.48 1.036 . . . . 0.0 112.055 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -44.07 2.58 Favored 'General case' 0 N--CA 1.515 2.776 0 O-C-N 121.261 -0.899 . . . . 0.0 111.356 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -15.78 58.49 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.51 2.558 0 CA-C-N 119.594 1.088 . . . . 0.0 111.431 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.776 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 -36.46 0.08 Allowed 'General case' 0 N--CA 1.516 2.845 0 CA-C-N 118.518 1.159 . . . . 0.0 112.737 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -49.7 -43.28 47.41 Favored 'General case' 0 N--CA 1.521 3.099 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -23.56 -74.72 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 125.585 1.554 . . . . 0.0 113.927 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -169.89 -75.54 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 118.86 0.755 . . . . 0.0 110.911 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.49 -61.7 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -18.59 30.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.4 mt-10 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.519 -0.738 . . . . 0.0 110.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.478 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.79 -32.41 74.09 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 121.654 -0.654 . . . . 0.0 110.544 178.057 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.29 -47.53 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -79.63 -33.55 41.3 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.686 -0.634 . . . . 0.0 110.632 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.78 -33.7 74.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.291 -0.881 . . . . 0.0 112.016 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 pp -71.2 -12.18 61.33 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 119.337 0.971 . . . . 0.0 111.806 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -112.48 -50.57 2.89 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.202 0.91 . . . . 0.0 112.77 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -82.26 -3.02 54.38 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.368 0 CA-C-N 119.774 1.17 . . . . 0.0 110.621 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.803 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.97 17.27 0.5 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -104.07 -38.67 6.85 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.391 -0.818 . . . . 0.0 109.966 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 2.0 mp -17.88 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.156 0 C-N-CA 126.225 1.81 . . . . 0.0 114.306 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -164.66 -70.82 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.632 -0.667 . . . . 0.0 110.91 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 p -170.55 -53.61 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.3 mmt -98.07 -17.5 19.07 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.4 mm-40 -63.98 -36.08 82.81 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.531 -0.73 . . . . 0.0 110.598 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.1 -33.44 74.53 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.638 -0.664 . . . . 0.0 110.103 177.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.79 -51.76 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.612 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.8 pt-20 -72.38 -35.25 68.4 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.995 -0.441 . . . . 0.0 111.107 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.88 -29.19 69.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.004 -1.06 . . . . 0.0 111.981 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.78 13.52 4.72 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 119.198 0.908 . . . . 0.0 111.426 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -136.57 -52.32 0.7 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.139 -0.975 . . . . 0.0 111.302 179.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.61 -9.58 58.76 Favored 'General case' 0 N--CA 1.518 2.973 0 CA-C-N 119.541 1.064 . . . . 0.0 112.986 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 CA-C-N 119.389 0.995 . . . . 0.0 109.671 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 -36.7 0.07 Allowed 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 118.458 1.129 . . . . 0.0 112.769 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -50.31 -43.86 53.93 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -20.73 -73.32 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 125.812 1.645 . . . . 0.0 114.193 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -167.7 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 118.627 0.649 . . . . 0.0 110.818 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -167.45 -53.25 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.9 mmt -98.57 -15.55 19.46 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.4 mm-40 -65.15 -38.16 89.69 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.454 -0.779 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -33.58 76.14 Favored 'General case' 0 N--CA 1.518 2.946 0 O-C-N 121.588 -0.695 . . . . 0.0 110.229 177.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.85 -55.72 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.531 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.1 pt-20 -67.23 -34.48 77.55 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 122.032 -0.418 . . . . 0.0 111.13 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -66.64 -37.84 85.65 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.54 -0.725 . . . . 0.0 111.602 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.3 mt -67.74 -13.11 61.84 Favored 'General case' 0 N--CA 1.51 2.545 0 CA-C-N 118.755 0.707 . . . . 0.0 111.99 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -115.02 -47.53 2.86 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.183 0.901 . . . . 0.0 111.951 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -15.79 60.91 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.599 0 CA-C-N 119.769 1.168 . . . . 0.0 111.878 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.629 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.54 -37.73 0.09 Allowed 'General case' 0 N--CA 1.513 2.718 0 CA-C-N 117.991 0.896 . . . . 0.0 113.072 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -49.66 -45.25 48.36 Favored 'General case' 0 N--CA 1.527 3.423 0 O-C-N 121.28 -0.888 . . . . 0.0 113.261 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -18.8 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 125.863 1.665 . . . . 0.0 114.524 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -168.77 -71.85 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.697 0.68 . . . . 0.0 111.109 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.18 -55.98 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 ptp -91.61 -19.84 22.29 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.2 mm-40 -65.95 -40.54 91.41 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.706 -0.621 . . . . 0.0 111.017 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.54 -33.25 75.48 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 118.881 0.764 . . . . 0.0 110.267 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.84 -57.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -65.16 -40.0 93.74 Favored 'General case' 0 N--CA 1.512 2.627 0 CA-C-N 118.114 0.415 . . . . 0.0 111.079 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.62 -31.75 69.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.538 -0.726 . . . . 0.0 111.977 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.1 mt -82.02 11.89 4.7 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -49.02 0.7 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 121.113 -0.992 . . . . 0.0 110.527 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.44 -2.92 58.95 Favored 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -179.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.426 0 CA-C-N 119.586 1.084 . . . . 0.0 110.524 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -146.91 -56.75 0.26 Allowed 'General case' 0 N--CA 1.512 2.631 0 CA-C-N 117.855 0.827 . . . . 0.0 112.224 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -44.31 -54.8 5.45 Favored 'General case' 0 N--CA 1.524 3.251 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -13.01 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 125.982 1.713 . . . . 0.0 114.782 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -169.04 -74.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.591 0.632 . . . . 0.0 111.181 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.45 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -93.17 -16.8 24.46 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -64.38 -46.62 82.56 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.524 -0.735 . . . . 0.0 110.223 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.72 -35.18 74.01 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 121.805 -0.56 . . . . 0.0 110.949 178.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.11 -54.58 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.2 -38.3 72.09 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.925 -0.484 . . . . 0.0 111.101 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 68.5 t90 -58.94 -36.0 74.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 111.94 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -9.97 57.66 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 118.858 0.754 . . . . 0.0 111.877 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.72 -49.57 2.72 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 119.36 0.982 . . . . 0.0 111.671 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.22 7.34 28.84 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.438 0 CA-C-N 119.884 1.22 . . . . 0.0 110.791 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.869 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.47 -36.26 0.07 Allowed 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 118.509 1.154 . . . . 0.0 112.7 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -49.48 -43.55 45.26 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.78 -73.64 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.277 0 C-N-CA 125.679 1.592 . . . . 0.0 114.071 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -168.84 -72.03 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.508 0 CA-C-N 118.721 0.691 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.94 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -17.01 24.0 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.59 -37.17 86.65 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.541 -0.724 . . . . 0.0 110.767 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -34.94 75.67 Favored 'General case' 0 N--CA 1.517 2.924 0 O-C-N 121.518 -0.739 . . . . 0.0 109.802 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -52.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.579 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.9 -45.31 74.81 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.501 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.531 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 72.6 t90 -55.72 -36.32 67.09 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 118.481 0.582 . . . . 0.0 112.533 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.97 -9.5 55.37 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 118.856 0.753 . . . . 0.0 112.039 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 N--CA 1.51 2.538 0 CA-C-N 119.321 0.964 . . . . 0.0 111.25 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -80.18 -2.18 43.64 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.235 0 CA-C-N 119.788 1.177 . . . . 0.0 110.315 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.702 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -41.4 0.67 Allowed 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 117.946 0.873 . . . . 0.0 111.58 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -42.63 -46.16 4.89 Favored 'General case' 0 N--CA 1.526 3.36 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.6 mp -17.89 -74.08 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.482 0 C-N-CA 125.556 1.542 . . . . 0.0 114.564 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -168.37 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 118.711 0.687 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.81 -55.31 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.62 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -94.96 -17.88 21.58 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 53.6 mm-40 -64.62 -38.95 92.75 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.89 -31.34 71.88 Favored 'General case' 0 N--CA 1.52 3.038 0 O-C-N 121.576 -0.703 . . . . 0.0 110.403 178.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.56 -53.26 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.611 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.1 pt-20 -68.71 -24.66 64.51 Favored 'General case' 0 N--CA 1.516 2.833 0 O-C-N 121.997 -0.439 . . . . 0.0 111.428 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -82.37 -30.96 29.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.422 -0.799 . . . . 0.0 112.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -85.57 37.61 0.7 Allowed 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.241 0.928 . . . . 0.0 110.896 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HD2' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -155.76 -49.99 0.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.361 -0.837 . . . . 0.0 110.943 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -86.01 -14.09 45.57 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.76 -0.587 . . . . 0.0 112.306 -179.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.307 0 CA-C-N 119.279 0.945 . . . . 0.0 111.235 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.701 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 -36.9 0.07 Allowed 'General case' 0 N--CA 1.516 2.849 0 CA-C-N 118.559 1.18 . . . . 0.0 112.782 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -50.13 -43.86 52.03 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 121.489 -0.757 . . . . 0.0 113.036 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.19 -73.93 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.313 0 C-N-CA 125.798 1.639 . . . . 0.0 114.227 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -168.25 -72.04 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.492 0 CA-C-N 118.743 0.701 . . . . 0.0 111.052 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -167.23 -56.72 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 mmm -95.94 -15.43 22.37 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 55.3 mm-40 -65.26 -38.58 90.75 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.478 -0.764 . . . . 0.0 110.474 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.99 -33.88 76.82 Favored 'General case' 0 N--CA 1.518 2.951 0 O-C-N 121.629 -0.67 . . . . 0.0 110.133 177.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.63 -56.73 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -65.41 -36.69 84.7 Favored 'General case' 0 N--CA 1.514 2.741 0 CA-C-N 117.975 0.352 . . . . 0.0 111.161 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -64.84 -34.08 77.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.639 -0.663 . . . . 0.0 112.185 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.01 -5.45 46.4 Favored 'General case' 0 N--CA 1.509 2.509 0 CA-C-N 119.083 0.856 . . . . 0.0 112.028 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -42.63 2.05 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.234 -0.916 . . . . 0.0 111.249 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -18.55 58.56 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.466 -0.772 . . . . 0.0 112.303 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 CA-C-N 119.251 0.932 . . . . 0.0 110.643 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.795 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -155.67 -32.84 0.09 Allowed 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.172 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.424 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 15.3 p80 -50.13 -45.89 53.36 Favored 'General case' 0 N--CA 1.525 3.301 0 O-C-N 121.229 -0.919 . . . . 0.0 112.941 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -18.55 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 125.92 1.688 . . . . 0.0 114.084 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 17.6 t30 -169.68 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.719 0.69 . . . . 0.0 110.979 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t -165.61 -60.12 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -18.04 28.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' A' ' 16' ' ' ASN . 17.0 mt-10 -61.32 -50.12 74.24 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.84 -32.03 71.44 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 118.416 0.553 . . . . 0.0 110.794 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.34 -56.31 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.37 -37.81 80.79 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 121.799 -0.563 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 75.0 t90 -58.32 -35.49 71.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.771 -0.581 . . . . 0.0 111.458 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.85 -9.42 57.57 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.535 -0.728 . . . . 0.0 111.59 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.7 -51.55 2.85 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.226 -0.921 . . . . 0.0 110.549 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.74 5.6 39.15 Favored 'General case' 0 N--CA 1.514 2.733 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.503 0 CA-C-N 120.112 1.323 . . . . 0.0 110.664 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -144.39 -53.0 0.32 Allowed 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 117.983 0.892 . . . . 0.0 112.206 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -41.81 -51.25 4.28 Favored 'General case' 0 N--CA 1.527 3.399 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 20' ' ' ARG . 1.8 mp -11.85 -76.23 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 126.287 1.835 . . . . 0.0 115.372 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -168.03 -72.4 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 118.805 0.73 . . . . 0.0 111.747 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.74 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -19.17 23.52 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -64.49 -44.06 92.2 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.543 -0.723 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -62.07 -33.13 73.84 Favored 'General case' 0 N--CA 1.522 3.172 0 O-C-N 121.558 -0.714 . . . . 0.0 110.701 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.71 -57.34 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.4 -38.89 91.31 Favored 'General case' 0 N--CA 1.513 2.675 0 CA-C-N 117.965 0.348 . . . . 0.0 111.408 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -59.54 -31.52 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 112.152 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.1 16.43 2.93 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.223 -0.923 . . . . 0.0 111.261 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.86 -49.08 0.47 Allowed 'General case' 0 N--CA 1.513 2.678 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.41 -2.84 58.82 Favored 'General case' 0 N--CA 1.515 2.811 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.299 0 CA-C-N 119.591 1.087 . . . . 0.0 110.596 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.923 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -35.72 0.08 Allowed 'General case' 0 N--CA 1.516 2.852 0 CA-C-N 118.514 1.157 . . . . 0.0 112.662 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.24 -43.26 42.57 Favored 'General case' 0 N--CA 1.521 3.118 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.7 mp -22.4 -74.4 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.222 0 C-N-CA 125.727 1.611 . . . . 0.0 114.027 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -169.11 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.562 0 CA-C-N 118.756 0.707 . . . . 0.0 110.855 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.19 -60.41 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -19.53 24.88 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 48.8 mm-40 -61.09 -39.97 91.96 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.602 -0.687 . . . . 0.0 110.575 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.0 -33.2 71.73 Favored 'General case' 0 N--CA 1.519 2.982 0 O-C-N 121.461 -0.775 . . . . 0.0 110.085 177.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.07 -47.71 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.644 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.8 pt-20 -75.65 -35.83 60.32 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 121.741 -0.6 . . . . 0.0 110.548 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -62.44 -31.89 72.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 0.0 112.449 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.52 -9.75 59.0 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.663 1.12 . . . . 0.0 111.77 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -114.16 -50.51 2.81 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.28 0.945 . . . . 0.0 112.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -6.36 57.82 Favored 'General case' 0 N--CA 1.52 3.038 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.349 0 CA-C-N 119.72 1.145 . . . . 0.0 110.648 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 9.7 mtmm -146.09 -56.26 0.29 Allowed 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 118.094 0.947 . . . . 0.0 112.156 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -42.43 -51.65 4.89 Favored 'General case' 0 N--CA 1.523 3.197 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -15.27 -73.71 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 125.767 1.627 . . . . 0.0 114.63 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.41 -73.07 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 118.664 0.665 . . . . 0.0 111.251 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -166.87 -55.73 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.66 -16.59 21.93 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 54.9 mm-40 -64.9 -38.31 90.53 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.529 -0.732 . . . . 0.0 110.676 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.46 -32.52 73.94 Favored 'General case' 0 N--CA 1.519 3.014 0 O-C-N 121.5 -0.75 . . . . 0.0 110.185 177.715 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.41 -55.29 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.4 pt-20 -66.91 -29.98 70.0 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 122.138 -0.351 . . . . 0.0 111.357 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -73.1 -32.06 64.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.411 -0.806 . . . . 0.0 111.809 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.1 mt -82.27 13.04 3.76 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 118.996 0.816 . . . . 0.0 111.651 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 -48.7 0.56 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.202 -0.936 . . . . 0.0 110.909 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -21.56 60.39 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.71 -0.619 . . . . 0.0 111.842 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt . . . . . 0 N--CA 1.507 2.417 0 CA-C-N 119.311 0.959 . . . . 0.0 110.543 179.076 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.911 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.29 -36.44 0.07 Allowed 'General case' 0 N--CA 1.516 2.861 0 CA-C-N 118.464 1.132 . . . . 0.0 112.679 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -50.05 -43.44 51.1 Favored 'General case' 0 N--CA 1.52 3.034 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -22.5 -73.38 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.244 0 C-N-CA 125.572 1.549 . . . . 0.0 113.921 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -169.61 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 118.712 0.687 . . . . 0.0 110.869 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -167.92 -57.09 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -14.63 26.81 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.2 mt-10 -65.16 -46.48 80.67 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.43 -0.794 . . . . 0.0 109.969 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.74 -31.88 72.08 Favored 'General case' 0 N--CA 1.519 3.008 0 O-C-N 121.705 -0.622 . . . . 0.0 110.575 178.111 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.36 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.3 pt-20 -70.68 -32.47 69.74 Favored 'General case' 0 N--CA 1.513 2.708 0 O-C-N 121.872 -0.518 . . . . 0.0 110.99 178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -66.14 -35.73 81.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.558 -0.714 . . . . 0.0 111.508 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.73 -12.09 61.34 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 118.745 0.702 . . . . 0.0 111.748 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -115.56 -48.15 2.79 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.24 -0.913 . . . . 0.0 112.06 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -17.39 62.19 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.343 0 CA-C-N 119.668 1.122 . . . . 0.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.828 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -35.82 0.07 Allowed 'General case' 0 N--CA 1.516 2.828 0 CA-C-N 118.248 1.024 . . . . 0.0 112.555 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -48.45 -43.53 34.61 Favored 'General case' 0 N--CA 1.522 3.159 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.84 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.274 0 C-N-CA 125.517 1.527 . . . . 0.0 113.768 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -168.64 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.667 -0.646 . . . . 0.0 110.722 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.49 -56.29 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 ptp -90.22 -18.34 25.87 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.122 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -62.31 -50.79 70.25 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.566 -0.709 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.518 2.972 0 O-C-N 121.916 -0.49 . . . . 0.0 111.202 178.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.47 -50.88 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.605 0 CA-C-N 118.349 0.522 . . . . 0.0 109.756 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.62 -26.72 41.1 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.696 -0.628 . . . . 0.0 111.016 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 64.0 t90 -67.7 -36.11 80.03 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.604 -0.685 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.17 -13.55 62.24 Favored 'General case' 0 N--CA 1.512 2.625 0 CA-C-N 119.251 0.932 . . . . 0.0 111.834 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -114.59 -48.74 2.85 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 118.992 0.814 . . . . 0.0 112.092 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -17.27 63.65 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.536 -0.728 . . . . 0.0 112.593 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.217 0 CA-C-N 119.732 1.151 . . . . 0.0 110.386 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.549 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.51 -38.21 0.07 Allowed 'General case' 0 N--CA 1.515 2.797 0 CA-C-N 118.697 1.248 . . . . 0.0 113.071 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -53.43 -44.29 68.7 Favored 'General case' 0 N--CA 1.52 3.053 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.7 -74.27 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 125.772 1.629 . . . . 0.0 114.438 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -167.87 -73.29 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 118.69 0.677 . . . . 0.0 110.922 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -166.57 -54.96 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -14.46 23.57 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.6 mt-10 -64.52 -46.27 83.64 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.453 -0.779 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.17 -32.37 72.1 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.817 -0.552 . . . . 0.0 110.942 178.362 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.64 -51.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.536 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.5 pt-20 -76.32 -33.46 59.03 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.812 -0.555 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -65.7 -39.25 91.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.411 -0.806 . . . . 0.0 112.958 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -69.35 -11.67 61.01 Favored 'General case' 0 N--CA 1.513 2.698 0 CA-C-N 119.14 0.882 . . . . 0.0 112.602 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -45.34 2.39 Favored 'General case' 0 N--CA 1.512 2.665 0 CA-C-N 119.238 0.927 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -68.78 -17.41 64.02 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 112.229 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.3 mtpt . . . . . 0 N--CA 1.504 2.244 0 CA-C-N 119.483 1.038 . . . . 0.0 110.058 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.6 -37.72 0.09 Allowed 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 118.017 0.908 . . . . 0.0 112.137 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.59 -44.34 46.92 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -20.58 -72.63 0.02 OUTLIER 'General case' 0 N--CA 1.528 3.474 0 C-N-CA 125.6 1.56 . . . . 0.0 114.15 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -167.86 -72.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.44 0 CA-C-N 118.643 0.656 . . . . 0.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -168.37 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -13.43 25.17 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.42 -49.03 73.12 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.417 -0.802 . . . . 0.0 109.667 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.48 -30.72 67.21 Favored 'General case' 0 N--CA 1.517 2.884 0 O-C-N 122.047 -0.408 . . . . 0.0 111.18 178.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.46 -53.98 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.5 -28.9 56.6 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.813 -0.555 . . . . 0.0 111.45 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 55.0 t90 -68.38 -40.55 81.35 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.594 -0.691 . . . . 0.0 111.46 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -67.24 -11.8 58.42 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 118.673 0.67 . . . . 0.0 112.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -112.97 -48.86 2.96 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 119.384 0.993 . . . . 0.0 112.105 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -71.46 -18.43 62.31 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.334 0 CA-C-N 119.431 1.014 . . . . 0.0 110.498 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -146.89 -47.78 0.18 Allowed 'General case' 0 N--CA 1.513 2.725 0 CA-C-N 117.301 0.551 . . . . 0.0 111.497 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -39.98 -47.31 2.22 Favored 'General case' 0 N--CA 1.523 3.181 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -19.96 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 125.419 1.488 . . . . 0.0 114.119 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -168.75 -73.11 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.675 -0.641 . . . . 0.0 111.016 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -168.46 -55.55 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 mtt -94.54 -14.1 25.4 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.88 -49.73 69.33 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.37 -0.831 . . . . 0.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.99 -31.09 64.72 Favored 'General case' 0 N--CA 1.519 3.009 0 O-C-N 122.036 -0.415 . . . . 0.0 111.203 178.334 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.66 -54.61 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.487 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.01 -28.68 57.87 Favored 'General case' 0 N--CA 1.513 2.677 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.382 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -67.45 -38.15 84.07 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.573 -0.704 . . . . 0.0 111.668 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -70.57 -11.42 60.92 Favored 'General case' 0 N--CA 1.508 2.43 0 CA-C-N 118.7 0.682 . . . . 0.0 111.812 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -114.28 -48.37 2.89 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.181 0.9 . . . . 0.0 112.094 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.12 63.56 Favored 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.552 -0.718 . . . . 0.0 112.633 -178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 2.2 mtpt . . . . . 0 N--CA 1.506 2.368 0 CA-C-N 119.658 1.117 . . . . 0.0 110.352 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -139.87 -50.91 0.5 Allowed 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 117.954 0.877 . . . . 0.0 112.068 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -41.6 -49.77 4.11 Favored 'General case' 0 N--CA 1.523 3.188 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 20' ' ' ARG . 2.5 mp -10.69 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.331 0 C-N-CA 126.18 1.792 . . . . 0.0 115.619 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -167.07 -69.8 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 118.78 0.718 . . . . 0.0 111.734 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.67 -57.0 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtm -93.9 -18.33 22.07 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.82 -43.79 87.54 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.601 -0.687 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.85 -32.34 72.67 Favored 'General case' 0 N--CA 1.522 3.147 0 O-C-N 121.577 -0.702 . . . . 0.0 110.967 178.435 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.03 -55.0 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.14 -30.64 70.69 Favored 'General case' 0 N--CA 1.515 2.796 0 O-C-N 122.137 -0.352 . . . . 0.0 111.447 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 t90 -71.85 -32.26 67.33 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.486 -0.759 . . . . 0.0 112.021 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.5 11.91 4.18 Favored 'General case' 0 N--CA 1.511 2.61 0 CA-C-N 119.358 0.981 . . . . 0.0 111.629 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -50.18 0.53 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.221 -0.924 . . . . 0.0 110.804 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -17.57 62.47 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.674 -0.641 . . . . 0.0 111.785 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.4 mtpt . . . . . 0 N--CA 1.504 2.268 0 CA-C-N 119.286 0.948 . . . . 0.0 109.869 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -130.58 -39.22 1.29 Allowed 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 117.515 0.658 . . . . 0.0 111.993 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -42.11 -43.9 3.45 Favored 'General case' 0 N--CA 1.523 3.193 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.9 mp -19.02 -73.52 0.01 OUTLIER 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 125.429 1.492 . . . . 0.0 114.416 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -168.17 -74.75 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 118.621 0.646 . . . . 0.0 110.992 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.29 -56.04 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -92.83 -15.78 26.09 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.26 -51.54 65.73 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 121.468 -0.77 . . . . 0.0 110.019 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.43 -29.17 65.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 122.102 -0.374 . . . . 0.0 111.514 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.88 -46.19 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 121.806 -0.559 . . . . 0.0 109.54 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 pt-20 -85.29 -24.61 27.64 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -75.36 -29.51 59.94 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 112.0 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.51 29.38 0.88 Allowed 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 119.321 0.964 . . . . 0.0 111.306 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -146.63 -51.67 0.22 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.259 -0.901 . . . . 0.0 111.089 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.1 -11.39 52.82 Favored 'General case' 0 N--CA 1.518 2.96 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.07 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.311 0 CA-C-N 119.427 1.012 . . . . 0.0 110.59 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.503 2.177 0 CA-C-O 121.435 0.636 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.44 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 22.9 m -133.46 -134.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -108.89 161.94 14.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.135 -0.978 . . . . 0.0 108.566 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -40.18 76.07 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 121.251 -0.905 . . . . 0.0 110.219 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -65.19 -54.17 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.577 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.8 tp-100 -60.86 -35.61 77.04 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 122.443 -0.161 . . . . 0.0 110.676 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -40.57 97.52 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.71 -0.619 . . . . 0.0 110.012 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mmt -65.86 -41.5 91.57 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -62.71 -43.41 98.88 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -62.14 -38.03 87.43 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 122.126 -0.359 . . . . 0.0 110.572 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.85 20.93 11.27 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.812 -0.555 . . . . 0.0 111.186 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.7 39.42 1.98 Allowed Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.111 -0.993 . . . . 0.0 111.064 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 -36.24 0.07 Allowed 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 118.504 1.152 . . . . 0.0 112.841 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -50.39 -43.71 54.65 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -22.95 -73.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.271 0 C-N-CA 125.557 1.543 . . . . 0.0 113.967 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -169.31 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 118.767 0.712 . . . . 0.0 110.958 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -170.24 -56.84 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptp -90.27 -19.04 24.57 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.0 mt-10 -63.55 -44.52 93.9 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.643 -0.66 . . . . 0.0 110.509 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.02 -33.96 76.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.577 178.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.13 -49.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.703 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.7 pt-20 -77.28 -31.41 54.83 Favored 'General case' 0 N--CA 1.508 2.445 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.91 -36.1 82.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.53 -0.732 . . . . 0.0 112.192 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.43 -10.09 59.35 Favored 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.48 1.036 . . . . 0.0 112.055 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -44.07 2.58 Favored 'General case' 0 N--CA 1.515 2.776 0 O-C-N 121.261 -0.899 . . . . 0.0 111.356 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -15.78 58.49 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -57.97 10.22 Favored 'General case' 0 N--CA 1.51 2.558 0 CA-C-N 119.594 1.088 . . . . 0.0 111.431 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.89 -32.69 67.96 Favored 'General case' 0 N--CA 1.506 2.336 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.678 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -76.06 -45.95 31.6 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 121.608 -0.683 . . . . 0.0 109.491 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -136.72 102.73 4.99 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.517 2.893 0 CA-C-O 117.456 -1.259 . . . . 0.0 111.678 -179.03 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.504 2.259 0 CA-C-O 121.131 0.491 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.52 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 4.6 m -129.08 -120.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 6' ' ' GLN . 58.3 m -116.52 166.2 12.36 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 120.472 1.487 . . . . 0.0 110.1 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.7 -26.72 64.17 Favored 'General case' 0 N--CA 1.519 2.983 0 O-C-N 121.542 -0.724 . . . . 0.0 110.727 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.79 -52.3 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.52 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 7.2 tt0 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 122.238 0.215 . . . . 0.0 111.17 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.35 -34.79 77.36 Favored 'General case' 0 N--CA 1.513 2.702 0 O-C-N 121.624 -0.673 . . . . 0.0 110.535 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -67.94 -42.67 80.63 Favored 'General case' 0 N--CA 1.515 2.795 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -65.22 -45.29 85.29 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.76 -34.12 77.45 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 122.19 -0.319 . . . . 0.0 110.669 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 tp -98.32 22.35 9.77 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.748 -0.595 . . . . 0.0 111.089 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.44 37.35 2.46 Favored Glycine 0 N--CA 1.498 2.776 0 O-C-N 121.133 -0.98 . . . . 0.0 111.3 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 -36.46 0.08 Allowed 'General case' 0 N--CA 1.516 2.845 0 CA-C-N 118.518 1.159 . . . . 0.0 112.737 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -49.7 -43.28 47.41 Favored 'General case' 0 N--CA 1.521 3.099 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -23.56 -74.72 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 125.585 1.554 . . . . 0.0 113.927 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -169.89 -75.54 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 118.86 0.755 . . . . 0.0 110.911 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.49 -61.7 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -18.59 30.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.4 mt-10 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.519 -0.738 . . . . 0.0 110.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.478 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.79 -32.41 74.09 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 121.654 -0.654 . . . . 0.0 110.544 178.057 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.29 -47.53 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -79.63 -33.55 41.3 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.686 -0.634 . . . . 0.0 110.632 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.78 -33.7 74.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.291 -0.881 . . . . 0.0 112.016 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 pp -71.2 -12.18 61.33 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 119.337 0.971 . . . . 0.0 111.806 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -112.48 -50.57 2.89 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.202 0.91 . . . . 0.0 112.77 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -82.26 -3.02 54.38 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -55.85 29.55 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 119.774 1.17 . . . . 0.0 110.621 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.73 -33.1 73.44 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.198 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -68.37 -39.45 81.77 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 121.744 -0.597 . . . . 0.0 109.668 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.77 150.01 36.24 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.51 2.564 0 O-C-N 121.864 -0.522 . . . . 0.0 111.124 179.29 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 121.311 0.577 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.49 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 15.4 m -133.95 -128.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -118.95 169.26 10.04 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.623 1.102 . . . . 0.0 109.725 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.8 -36.21 69.65 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 121.4 -0.813 . . . . 0.0 110.74 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.03 -54.76 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 O-C-N 121.89 -0.506 . . . . 0.0 109.923 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 12.1 tp60 -60.27 -37.92 81.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 122.054 -0.404 . . . . 0.0 111.009 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.62 -37.82 87.78 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.728 -0.608 . . . . 0.0 110.359 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -33.04 74.43 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -70.69 -41.29 72.19 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.721 -0.612 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -62.95 -45.04 94.31 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 122.068 -0.395 . . . . 0.0 110.17 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -104.09 37.44 2.07 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.87 37.69 1.91 Allowed Glycine 0 N--CA 1.498 2.803 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.97 17.27 0.5 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -104.07 -38.67 6.85 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.391 -0.818 . . . . 0.0 109.966 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 2.0 mp -17.88 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.156 0 C-N-CA 126.225 1.81 . . . . 0.0 114.306 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -164.66 -70.82 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.632 -0.667 . . . . 0.0 110.91 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 p -170.55 -53.61 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.3 mmt -98.07 -17.5 19.07 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.4 mm-40 -63.98 -36.08 82.81 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.531 -0.73 . . . . 0.0 110.598 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.1 -33.44 74.53 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.638 -0.664 . . . . 0.0 110.103 177.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.79 -51.76 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.612 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.8 pt-20 -72.38 -35.25 68.4 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.995 -0.441 . . . . 0.0 111.107 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.88 -29.19 69.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.004 -1.06 . . . . 0.0 111.981 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.78 13.52 4.72 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 119.198 0.908 . . . . 0.0 111.426 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -136.57 -52.32 0.7 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.139 -0.975 . . . . 0.0 111.302 179.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.61 -9.58 58.76 Favored 'General case' 0 N--CA 1.518 2.973 0 CA-C-N 119.541 1.064 . . . . 0.0 112.986 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -70.45 -65.46 0.73 Allowed 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.389 0.995 . . . . 0.0 109.671 177.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.18 -32.02 73.31 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 122.385 -0.197 . . . . 0.0 111.33 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HB3' HG13 ' A' ' 31' ' ' VAL . 61.6 mt-30 -81.05 -24.17 38.02 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.697 -0.627 . . . . 0.0 110.724 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.69 31.44 20.87 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-O 121.147 0.499 . . . . 0.0 111.189 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG13 ' HB3' ' A' ' 29' ' ' GLN . 12.6 p . . . . . 0 N--CA 1.507 2.424 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.772 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 121.357 0.598 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.481 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 31.6 m -133.52 -134.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -115.27 162.31 17.27 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.217 -0.927 . . . . 0.0 109.243 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -36.29 78.46 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.468 -0.77 . . . . 0.0 110.18 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -63.08 -51.6 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.3 tp-100 -63.1 -32.36 73.72 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.25 -42.61 98.92 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.736 -0.602 . . . . 0.0 109.758 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.4 mtm -66.09 -40.67 90.97 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -63.11 -42.48 99.57 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 N--CA 1.512 2.647 0 O-C-N 122.064 -0.397 . . . . 0.0 110.275 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.95 21.8 11.11 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.757 -0.589 . . . . 0.0 110.96 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.51 39.9 1.9 Allowed Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 -36.7 0.07 Allowed 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 118.458 1.129 . . . . 0.0 112.769 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -50.31 -43.86 53.93 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -20.73 -73.32 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 125.812 1.645 . . . . 0.0 114.193 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -167.7 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 118.627 0.649 . . . . 0.0 110.818 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -167.45 -53.25 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.9 mmt -98.57 -15.55 19.46 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.4 mm-40 -65.15 -38.16 89.69 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.454 -0.779 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -33.58 76.14 Favored 'General case' 0 N--CA 1.518 2.946 0 O-C-N 121.588 -0.695 . . . . 0.0 110.229 177.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.85 -55.72 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.531 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.1 pt-20 -67.23 -34.48 77.55 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 122.032 -0.418 . . . . 0.0 111.13 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -66.64 -37.84 85.65 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.54 -0.725 . . . . 0.0 111.602 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.3 mt -67.74 -13.11 61.84 Favored 'General case' 0 N--CA 1.51 2.545 0 CA-C-N 118.755 0.707 . . . . 0.0 111.99 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -115.02 -47.53 2.86 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.183 0.901 . . . . 0.0 111.951 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -15.79 60.91 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.7 24.82 Favored 'General case' 0 N--CA 1.511 2.599 0 CA-C-N 119.769 1.168 . . . . 0.0 111.878 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -60.39 -30.51 69.63 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.569 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.47 -46.49 19.58 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.68 -0.638 . . . . 0.0 109.701 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -141.23 134.77 29.93 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.516 2.83 0 O-C-N 121.786 -0.571 . . . . 0.0 111.732 -179.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.488 ' HB3' ' HG ' ' A' ' 7' ' ' LEU . 2.4 t . . . . . 0 N--CA 1.505 2.295 0 CA-C-O 119.527 -0.273 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 6' ' ' GLN . 14.0 t -138.24 -93.45 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.514 0 CA-C-N 118.937 0.789 . . . . 0.0 111.884 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 43.2 m -121.63 178.93 4.63 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-N 119.866 1.212 . . . . 0.0 111.419 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.69 -21.0 37.92 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 121.232 -0.917 . . . . 0.0 111.59 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -111.08 -50.03 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.704 -0.622 . . . . 0.0 109.9 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' HG2' ' CG1' ' A' ' 2' ' ' VAL . 25.6 tp60 -61.59 -38.62 88.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.195 -0.316 . . . . 0.0 111.145 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 1' ' ' SER . 4.8 tt -57.63 -40.23 78.76 Favored 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 118.604 0.638 . . . . 0.0 109.516 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.72 -40.21 87.26 Favored 'General case' 0 N--CA 1.518 2.948 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -68.32 -44.23 75.84 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -62.72 -42.25 99.56 Favored 'General case' 0 N--CA 1.513 2.706 0 O-C-N 121.988 -0.445 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.8 29.73 3.64 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 122.03 -0.418 . . . . 0.0 110.681 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.52 39.24 2.17 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.54 -37.73 0.09 Allowed 'General case' 0 N--CA 1.513 2.718 0 CA-C-N 117.991 0.896 . . . . 0.0 113.072 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -49.66 -45.25 48.36 Favored 'General case' 0 N--CA 1.527 3.423 0 O-C-N 121.28 -0.888 . . . . 0.0 113.261 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -18.8 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 125.863 1.665 . . . . 0.0 114.524 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -168.77 -71.85 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.697 0.68 . . . . 0.0 111.109 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.18 -55.98 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 ptp -91.61 -19.84 22.29 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.2 mm-40 -65.95 -40.54 91.41 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.706 -0.621 . . . . 0.0 111.017 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.54 -33.25 75.48 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 118.881 0.764 . . . . 0.0 110.267 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.84 -57.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -65.16 -40.0 93.74 Favored 'General case' 0 N--CA 1.512 2.627 0 CA-C-N 118.114 0.415 . . . . 0.0 111.079 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.62 -31.75 69.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.538 -0.726 . . . . 0.0 111.977 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.1 mt -82.02 11.89 4.7 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -49.02 0.7 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 121.113 -0.992 . . . . 0.0 110.527 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.44 -2.92 58.95 Favored 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -179.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -56.44 21.9 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 119.586 1.084 . . . . 0.0 110.524 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.46 -30.84 69.93 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.237 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -72.65 -41.71 65.16 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 121.683 -0.636 . . . . 0.0 109.365 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -48.66 78.97 Favored 'General case' 0 N--CA 1.508 2.447 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.515 2.804 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.191 179.776 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.504 2.263 0 CA-C-O 121.116 0.484 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 23.6 m -126.06 -132.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -113.38 166.37 11.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.88 -40.89 77.05 Favored 'General case' 0 N--CA 1.515 2.802 0 O-C-N 121.389 -0.819 . . . . 0.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.96 -53.22 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 O-C-N 122.108 -0.37 . . . . 0.0 110.07 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.427 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 4.9 tp-100 -61.05 -31.83 71.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 122.4 -0.187 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.68 -40.41 96.99 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.591 -0.693 . . . . 0.0 109.667 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mtm -65.58 -40.98 93.36 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.7 -42.8 99.82 Favored 'General case' 0 N--CA 1.514 2.741 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -64.8 -40.73 95.72 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 mt -85.97 9.57 16.63 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 122.066 -0.396 . . . . 0.0 111.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.25 45.44 1.29 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -146.91 -56.75 0.26 Allowed 'General case' 0 N--CA 1.512 2.631 0 CA-C-N 117.855 0.827 . . . . 0.0 112.224 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -44.31 -54.8 5.45 Favored 'General case' 0 N--CA 1.524 3.251 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -13.01 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 125.982 1.713 . . . . 0.0 114.782 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -169.04 -74.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.591 0.632 . . . . 0.0 111.181 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.45 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -93.17 -16.8 24.46 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -64.38 -46.62 82.56 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.524 -0.735 . . . . 0.0 110.223 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.72 -35.18 74.01 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 121.805 -0.56 . . . . 0.0 110.949 178.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.11 -54.58 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.2 -38.3 72.09 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.925 -0.484 . . . . 0.0 111.101 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 68.5 t90 -58.94 -36.0 74.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 111.94 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -9.97 57.66 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 118.858 0.754 . . . . 0.0 111.877 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.72 -49.57 2.72 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 119.36 0.982 . . . . 0.0 111.671 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.22 7.34 28.84 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.67 -53.89 41.02 Favored 'General case' 0 N--CA 1.508 2.438 0 CA-C-N 119.884 1.22 . . . . 0.0 110.791 178.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.84 -30.46 71.55 Favored 'General case' 0 N--CA 1.507 2.422 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.893 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -70.53 -46.95 62.61 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.752 -0.593 . . . . 0.0 109.415 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.7 -179.72 0.07 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.506 2.35 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.947 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.504 2.257 0 CA-C-O 121.123 0.487 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.49 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 30.2 m -127.95 -134.42 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m -114.42 163.15 15.73 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.92 . . . . 0.0 109.402 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.22 77.72 Favored 'General case' 0 N--CA 1.514 2.727 0 O-C-N 121.501 -0.749 . . . . 0.0 110.204 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.2 -49.86 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.64 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 17.4 tp60 -64.41 -32.43 74.04 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.02 -39.98 91.84 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.739 -0.6 . . . . 0.0 109.821 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 mtt -65.48 -42.07 92.6 Favored 'General case' 0 N--CA 1.516 2.839 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -63.23 -42.69 99.26 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -64.54 -35.29 80.47 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 122.075 -0.39 . . . . 0.0 110.346 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -96.68 21.29 9.59 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.851 -0.53 . . . . 0.0 111.205 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.1 38.42 2.24 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.163 -0.961 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.47 -36.26 0.07 Allowed 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 118.509 1.154 . . . . 0.0 112.7 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -49.48 -43.55 45.26 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.78 -73.64 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.277 0 C-N-CA 125.679 1.592 . . . . 0.0 114.071 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -168.84 -72.03 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.508 0 CA-C-N 118.721 0.691 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.94 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -17.01 24.0 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.59 -37.17 86.65 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.541 -0.724 . . . . 0.0 110.767 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -34.94 75.67 Favored 'General case' 0 N--CA 1.517 2.924 0 O-C-N 121.518 -0.739 . . . . 0.0 109.802 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -52.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.579 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.9 -45.31 74.81 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.501 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.531 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 72.6 t90 -55.72 -36.32 67.09 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 118.481 0.582 . . . . 0.0 112.533 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.97 -9.5 55.37 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 118.856 0.753 . . . . 0.0 112.039 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 N--CA 1.51 2.538 0 CA-C-N 119.321 0.964 . . . . 0.0 111.25 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -80.18 -2.18 43.64 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -56.43 -57.06 13.94 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.788 1.177 . . . . 0.0 110.315 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.01 -31.48 72.63 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.922 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -68.59 -41.31 79.79 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.848 -0.533 . . . . 0.0 110.489 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.19 -46.44 23.28 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.866 -0.521 . . . . 0.0 110.367 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.507 2.377 0 CA-C-O 117.568 -1.206 . . . . 0.0 110.595 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.504 2.268 0 CA-C-O 120.232 0.063 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.439 HG22 ' HG3' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -135.19 -104.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.424 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.677 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -128.65 173.57 10.17 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 120.323 1.42 . . . . 0.0 110.051 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.22 -25.47 65.65 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 121.445 -0.784 . . . . 0.0 110.57 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.09 -50.73 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.954 -0.466 . . . . 0.0 109.747 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' A' ' 2' ' ' VAL . 5.8 tp-100 -59.39 -34.17 72.1 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.491 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.49 -35.1 79.32 Favored 'General case' 0 N--CA 1.514 2.747 0 CA-C-N 119.036 0.835 . . . . 0.0 110.023 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.2 mtt -64.23 -41.79 96.85 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.61 -40.64 80.33 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.99 -46.27 88.54 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 122.029 -0.42 . . . . 0.0 110.039 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 24.55 7.39 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 122.038 -0.414 . . . . 0.0 110.584 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.8 41.96 1.3 Allowed Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -41.4 0.67 Allowed 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 117.946 0.873 . . . . 0.0 111.58 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -42.63 -46.16 4.89 Favored 'General case' 0 N--CA 1.526 3.36 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.6 mp -17.89 -74.08 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.482 0 C-N-CA 125.556 1.542 . . . . 0.0 114.564 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -168.37 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 118.711 0.687 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.81 -55.31 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.62 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -94.96 -17.88 21.58 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 53.6 mm-40 -64.62 -38.95 92.75 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.89 -31.34 71.88 Favored 'General case' 0 N--CA 1.52 3.038 0 O-C-N 121.576 -0.703 . . . . 0.0 110.403 178.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.56 -53.26 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.611 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.1 pt-20 -68.71 -24.66 64.51 Favored 'General case' 0 N--CA 1.516 2.833 0 O-C-N 121.997 -0.439 . . . . 0.0 111.428 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -82.37 -30.96 29.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.422 -0.799 . . . . 0.0 112.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -85.57 37.61 0.7 Allowed 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.241 0.928 . . . . 0.0 110.896 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HD2' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -155.76 -49.99 0.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.361 -0.837 . . . . 0.0 110.943 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -86.01 -14.09 45.57 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.76 -0.587 . . . . 0.0 112.306 -179.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -54.56 -54.29 43.17 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 119.279 0.945 . . . . 0.0 111.235 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.54 -29.89 71.09 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.309 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -73.62 -42.1 61.92 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 121.713 -0.617 . . . . 0.0 110.385 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.66 -55.54 4.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.821 -0.55 . . . . 0.0 110.002 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.504 2.258 0 CA-C-O 117.58 -1.2 . . . . 0.0 109.479 179.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.442 0.639 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 6' ' ' GLN . 15.6 m -134.18 -128.07 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -107.16 155.94 19.35 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 119.676 1.125 . . . . 0.0 109.362 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tm-20 -52.39 -37.99 57.85 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 121.75 -0.593 . . . . 0.0 110.427 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.76 -51.49 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.427 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 2' ' ' VAL . 5.0 tp-100 -60.12 -35.15 74.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 122.432 -0.167 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 4' ' ' GLU . 22.7 mt -61.28 -45.27 95.18 Favored 'General case' 0 N--CA 1.515 2.817 0 O-C-N 121.6 -0.687 . . . . 0.0 109.264 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 mtt -60.95 -42.13 97.63 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.3 -41.88 99.0 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -62.31 -36.73 83.06 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 122.033 -0.417 . . . . 0.0 110.251 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tp -98.02 20.53 12.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.755 -0.59 . . . . 0.0 110.947 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.58 39.84 1.97 Allowed Glycine 0 N--CA 1.497 2.701 0 O-C-N 121.12 -0.988 . . . . 0.0 111.071 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 -36.9 0.07 Allowed 'General case' 0 N--CA 1.516 2.849 0 CA-C-N 118.559 1.18 . . . . 0.0 112.782 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -50.13 -43.86 52.03 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 121.489 -0.757 . . . . 0.0 113.036 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.19 -73.93 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.313 0 C-N-CA 125.798 1.639 . . . . 0.0 114.227 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -168.25 -72.04 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.492 0 CA-C-N 118.743 0.701 . . . . 0.0 111.052 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -167.23 -56.72 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 mmm -95.94 -15.43 22.37 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 55.3 mm-40 -65.26 -38.58 90.75 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.478 -0.764 . . . . 0.0 110.474 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.99 -33.88 76.82 Favored 'General case' 0 N--CA 1.518 2.951 0 O-C-N 121.629 -0.67 . . . . 0.0 110.133 177.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.63 -56.73 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -65.41 -36.69 84.7 Favored 'General case' 0 N--CA 1.514 2.741 0 CA-C-N 117.975 0.352 . . . . 0.0 111.161 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -64.84 -34.08 77.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.639 -0.663 . . . . 0.0 112.185 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.01 -5.45 46.4 Favored 'General case' 0 N--CA 1.509 2.509 0 CA-C-N 119.083 0.856 . . . . 0.0 112.028 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -42.63 2.05 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.234 -0.916 . . . . 0.0 111.249 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -18.55 58.56 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.466 -0.772 . . . . 0.0 112.303 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -62.75 1.64 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 119.251 0.932 . . . . 0.0 110.643 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -58.47 -30.18 66.77 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -73.84 -42.04 61.42 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.653 -0.654 . . . . 0.0 110.35 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.7 155.39 0.07 Allowed 'General case' 0 N--CA 1.514 2.758 0 CA-C-O 121.714 0.769 . . . . 0.0 112.514 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.516 2.857 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.191 179.529 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 121.118 0.485 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.504 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 30.9 m -126.85 -134.97 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -111.56 162.32 15.26 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -39.35 80.61 Favored 'General case' 0 N--CA 1.515 2.824 0 O-C-N 121.453 -0.779 . . . . 0.0 110.189 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.81 -52.1 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.662 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 11.9 tp60 -62.84 -36.56 83.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.9 -39.4 89.16 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.918 -0.489 . . . . 0.0 109.871 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -42.7 94.55 Favored 'General case' 0 N--CA 1.513 2.713 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.9 -43.35 99.02 Favored 'General case' 0 N--CA 1.515 2.783 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -63.38 -36.74 84.72 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 39.27 1.09 Allowed 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.472 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.52 45.83 1.13 Allowed Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -155.67 -32.84 0.09 Allowed 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.172 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.424 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 15.3 p80 -50.13 -45.89 53.36 Favored 'General case' 0 N--CA 1.525 3.301 0 O-C-N 121.229 -0.919 . . . . 0.0 112.941 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -18.55 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 125.92 1.688 . . . . 0.0 114.084 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 17.6 t30 -169.68 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.719 0.69 . . . . 0.0 110.979 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t -165.61 -60.12 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -18.04 28.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' A' ' 16' ' ' ASN . 17.0 mt-10 -61.32 -50.12 74.24 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.84 -32.03 71.44 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 118.416 0.553 . . . . 0.0 110.794 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.34 -56.31 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.37 -37.81 80.79 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 121.799 -0.563 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 75.0 t90 -58.32 -35.49 71.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.771 -0.581 . . . . 0.0 111.458 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.85 -9.42 57.57 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.535 -0.728 . . . . 0.0 111.59 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.7 -51.55 2.85 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.226 -0.921 . . . . 0.0 110.549 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.74 5.6 39.15 Favored 'General case' 0 N--CA 1.514 2.733 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -54.32 -55.74 25.37 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.112 1.323 . . . . 0.0 110.664 178.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.06 -30.02 70.95 Favored 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.964 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.73 -35.95 70.32 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 121.786 -0.571 . . . . 0.0 110.389 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 66.5 137.31 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.566 0 C-N-CA 123.865 0.866 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 N--CA 1.506 2.345 0 CA-C-O 118.755 -0.64 . . . . 0.0 109.49 179.18 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.508 2.45 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.4 t -79.53 -70.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 6' ' ' GLN 0.254 27.1 t -115.73 -3.83 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.019 -0.426 . . . . 0.0 111.12 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 61.24 20.84 11.39 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.315 0.646 . . . . 0.0 110.093 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -153.2 -53.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -65.9 -50.13 65.58 Favored 'General case' 0 N--CA 1.506 2.362 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.59 -31.08 71.84 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.082 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 mmt -66.3 -42.61 88.07 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -67.07 -39.65 86.88 Favored 'General case' 0 N--CA 1.511 2.625 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -60.33 -43.9 95.99 Favored 'General case' 0 N--CA 1.513 2.719 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.23 16.52 11.34 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 121.984 -0.447 . . . . 0.0 110.827 177.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.26 44.95 1.24 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -144.39 -53.0 0.32 Allowed 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 117.983 0.892 . . . . 0.0 112.206 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -41.81 -51.25 4.28 Favored 'General case' 0 N--CA 1.527 3.399 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 20' ' ' ARG . 1.8 mp -11.85 -76.23 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 126.287 1.835 . . . . 0.0 115.372 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -168.03 -72.4 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 118.805 0.73 . . . . 0.0 111.747 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.74 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -19.17 23.52 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -64.49 -44.06 92.2 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.543 -0.723 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -62.07 -33.13 73.84 Favored 'General case' 0 N--CA 1.522 3.172 0 O-C-N 121.558 -0.714 . . . . 0.0 110.701 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.71 -57.34 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.4 -38.89 91.31 Favored 'General case' 0 N--CA 1.513 2.675 0 CA-C-N 117.965 0.348 . . . . 0.0 111.408 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -59.54 -31.52 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 112.152 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.1 16.43 2.93 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.223 -0.923 . . . . 0.0 111.261 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.86 -49.08 0.47 Allowed 'General case' 0 N--CA 1.513 2.678 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.41 -2.84 58.82 Favored 'General case' 0 N--CA 1.515 2.811 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -56.04 26.16 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-N 119.591 1.087 . . . . 0.0 110.596 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pp -59.84 -30.52 69.02 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.149 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -73.37 -48.83 30.93 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.788 -0.57 . . . . 0.0 109.471 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.97 34.21 16.4 Favored 'General case' 0 N--CA 1.513 2.684 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.508 2.439 0 CA-C-O 117.617 -1.182 . . . . 0.0 109.857 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 20.9 m -129.36 -130.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -113.31 156.86 22.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 109.857 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.1 tm-20 -56.74 -36.25 69.53 Favored 'General case' 0 N--CA 1.515 2.815 0 O-C-N 121.74 -0.6 . . . . 0.0 110.12 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -65.96 -50.75 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.5 tp-100 -59.26 -39.21 82.15 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.463 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 4' ' ' GLU . 19.1 mt -63.1 -48.21 79.55 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 121.914 -0.491 . . . . 0.0 109.756 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -58.52 -45.37 88.97 Favored 'General case' 0 N--CA 1.518 2.939 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -60.77 -47.19 87.42 Favored 'General case' 0 N--CA 1.514 2.772 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -65.96 -31.12 71.86 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 122.077 -0.39 . . . . 0.0 111.074 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -99.33 23.82 8.8 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.673 -0.642 . . . . 0.0 111.394 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.45 37.02 2.34 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.284 -0.885 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -35.72 0.08 Allowed 'General case' 0 N--CA 1.516 2.852 0 CA-C-N 118.514 1.157 . . . . 0.0 112.662 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.24 -43.26 42.57 Favored 'General case' 0 N--CA 1.521 3.118 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.7 mp -22.4 -74.4 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.222 0 C-N-CA 125.727 1.611 . . . . 0.0 114.027 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -169.11 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.562 0 CA-C-N 118.756 0.707 . . . . 0.0 110.855 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.19 -60.41 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -19.53 24.88 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 48.8 mm-40 -61.09 -39.97 91.96 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.602 -0.687 . . . . 0.0 110.575 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.0 -33.2 71.73 Favored 'General case' 0 N--CA 1.519 2.982 0 O-C-N 121.461 -0.775 . . . . 0.0 110.085 177.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.07 -47.71 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.644 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.8 pt-20 -75.65 -35.83 60.32 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 121.741 -0.6 . . . . 0.0 110.548 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -62.44 -31.89 72.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 0.0 112.449 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.52 -9.75 59.0 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.663 1.12 . . . . 0.0 111.77 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -114.16 -50.51 2.81 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.28 0.945 . . . . 0.0 112.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -6.36 57.82 Favored 'General case' 0 N--CA 1.52 3.038 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -58.5 5.72 Favored 'General case' 0 N--CA 1.506 2.349 0 CA-C-N 119.72 1.145 . . . . 0.0 110.648 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.88 -31.55 64.96 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.488 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -77.15 -50.5 12.85 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.82 -174.65 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.506 2.338 0 O-C-N 121.587 -0.696 . . . . 0.0 109.648 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.429 ' HA ' ' HG ' ' A' ' 7' ' ' LEU . 18.6 m . . . . . 0 N--CA 1.504 2.262 0 CA-C-O 121.128 0.49 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' CG1' ' HG2' ' A' ' 6' ' ' GLN . 21.8 t -133.7 -90.52 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 121.555 -0.715 . . . . 0.0 111.058 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -121.62 -178.21 3.75 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.755 1.161 . . . . 0.0 111.176 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.63 -25.97 41.8 Favored 'General case' 0 N--CA 1.518 2.954 0 O-C-N 121.343 -0.848 . . . . 0.0 111.456 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.8 mm -108.11 -49.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 O-C-N 121.536 -0.728 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' ' CG1' ' A' ' 2' ' ' VAL . 5.6 tp-100 -62.03 -37.13 83.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.196 -0.315 . . . . 0.0 111.325 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 1' ' ' SER . 5.7 tt -60.44 -35.22 75.32 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 118.715 0.688 . . . . 0.0 110.005 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.0 -39.51 92.49 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -71.09 -46.2 62.28 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.13 -45.32 94.0 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 122.03 -0.419 . . . . 0.0 110.526 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.62 11.0 18.58 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 122.018 -0.426 . . . . 0.0 111.615 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.61 43.51 1.58 Allowed Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 9.7 mtmm -146.09 -56.26 0.29 Allowed 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 118.094 0.947 . . . . 0.0 112.156 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -42.43 -51.65 4.89 Favored 'General case' 0 N--CA 1.523 3.197 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -15.27 -73.71 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 125.767 1.627 . . . . 0.0 114.63 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.41 -73.07 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 118.664 0.665 . . . . 0.0 111.251 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -166.87 -55.73 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.66 -16.59 21.93 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 54.9 mm-40 -64.9 -38.31 90.53 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.529 -0.732 . . . . 0.0 110.676 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.46 -32.52 73.94 Favored 'General case' 0 N--CA 1.519 3.014 0 O-C-N 121.5 -0.75 . . . . 0.0 110.185 177.715 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.41 -55.29 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.4 pt-20 -66.91 -29.98 70.0 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 122.138 -0.351 . . . . 0.0 111.357 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -73.1 -32.06 64.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.411 -0.806 . . . . 0.0 111.809 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.1 mt -82.27 13.04 3.76 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 118.996 0.816 . . . . 0.0 111.651 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 -48.7 0.56 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.202 -0.936 . . . . 0.0 110.909 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -21.56 60.39 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.71 -0.619 . . . . 0.0 111.842 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.05 -61.63 2.41 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 119.311 0.959 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.44 -24.11 67.25 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 122.232 -0.292 . . . . 0.0 111.68 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.29 -36.32 29.98 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.54 -0.725 . . . . 0.0 111.341 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.82 -54.73 3.74 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.635 -0.665 . . . . 0.0 110.581 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.518 2.948 0 C-N-CA 123.213 0.605 . . . . 0.0 110.776 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.501 2.101 0 CA-C-O 121.327 0.585 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 19.7 m -132.45 -130.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -113.28 165.16 12.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.089 -1.007 . . . . 0.0 109.981 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -33.38 75.06 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 121.751 -0.593 . . . . 0.0 110.002 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.1 mm -71.51 -49.76 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.483 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.8 tp-100 -61.0 -32.67 72.25 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.539 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.49 -40.44 94.58 Favored 'General case' 0 N--CA 1.508 2.465 0 O-C-N 121.785 -0.572 . . . . 0.0 110.034 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.27 -41.02 90.48 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -62.17 -47.12 85.91 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -67.83 -32.71 73.43 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 122.105 -0.372 . . . . 0.0 110.801 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tp -97.99 21.99 9.93 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.691 -0.631 . . . . 0.0 111.386 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.88 38.78 2.17 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 121.112 -0.993 . . . . 0.0 111.325 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.29 -36.44 0.07 Allowed 'General case' 0 N--CA 1.516 2.861 0 CA-C-N 118.464 1.132 . . . . 0.0 112.679 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -50.05 -43.44 51.1 Favored 'General case' 0 N--CA 1.52 3.034 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -22.5 -73.38 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.244 0 C-N-CA 125.572 1.549 . . . . 0.0 113.921 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -169.61 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 118.712 0.687 . . . . 0.0 110.869 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -167.92 -57.09 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -14.63 26.81 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.2 mt-10 -65.16 -46.48 80.67 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.43 -0.794 . . . . 0.0 109.969 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.74 -31.88 72.08 Favored 'General case' 0 N--CA 1.519 3.008 0 O-C-N 121.705 -0.622 . . . . 0.0 110.575 178.111 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.36 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.3 pt-20 -70.68 -32.47 69.74 Favored 'General case' 0 N--CA 1.513 2.708 0 O-C-N 121.872 -0.518 . . . . 0.0 110.99 178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -66.14 -35.73 81.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.558 -0.714 . . . . 0.0 111.508 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.73 -12.09 61.34 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 118.745 0.702 . . . . 0.0 111.748 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -115.56 -48.15 2.79 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.24 -0.913 . . . . 0.0 112.06 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -17.39 62.19 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.07 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.668 1.122 . . . . 0.0 110.405 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.09 -25.28 67.62 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 122.084 -0.385 . . . . 0.0 111.598 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -81.14 -29.67 34.7 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.598 -0.688 . . . . 0.0 111.65 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -120.44 -66.8 1.03 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.599 -0.688 . . . . 0.0 110.538 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.508 2.456 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.093 179.732 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 121.324 0.583 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.486 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 29.2 m -133.39 -135.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -116.48 164.36 14.69 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -36.07 80.88 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 121.569 -0.707 . . . . 0.0 110.239 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.09 -49.27 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.712 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.486 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.0 tp-100 -63.99 -36.01 82.58 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.42 -39.49 83.66 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.962 -0.461 . . . . 0.0 110.483 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 mtm -63.03 -41.4 99.51 Favored 'General case' 0 N--CA 1.516 2.834 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -65.19 -36.9 85.62 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -59.69 -40.26 87.3 Favored 'General case' 0 N--CA 1.517 2.902 0 O-C-N 122.023 -0.423 . . . . 0.0 109.971 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.21 22.99 9.71 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.965 -0.459 . . . . 0.0 111.165 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.67 39.61 1.81 Allowed Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -35.82 0.07 Allowed 'General case' 0 N--CA 1.516 2.828 0 CA-C-N 118.248 1.024 . . . . 0.0 112.555 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -48.45 -43.53 34.61 Favored 'General case' 0 N--CA 1.522 3.159 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.84 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.274 0 C-N-CA 125.517 1.527 . . . . 0.0 113.768 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -168.64 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.667 -0.646 . . . . 0.0 110.722 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.49 -56.29 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 ptp -90.22 -18.34 25.87 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.122 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -62.31 -50.79 70.25 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.566 -0.709 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.518 2.972 0 O-C-N 121.916 -0.49 . . . . 0.0 111.202 178.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.47 -50.88 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.605 0 CA-C-N 118.349 0.522 . . . . 0.0 109.756 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.62 -26.72 41.1 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.696 -0.628 . . . . 0.0 111.016 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 64.0 t90 -67.7 -36.11 80.03 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.604 -0.685 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.17 -13.55 62.24 Favored 'General case' 0 N--CA 1.512 2.625 0 CA-C-N 119.251 0.932 . . . . 0.0 111.834 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -114.59 -48.74 2.85 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 118.992 0.814 . . . . 0.0 112.092 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -17.27 63.65 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.536 -0.728 . . . . 0.0 112.593 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -68.77 -68.46 0.39 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 119.732 1.151 . . . . 0.0 110.386 178.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pp -56.47 -30.97 63.56 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 122.118 -0.364 . . . . 0.0 111.811 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.29 -38.06 31.49 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.7 -0.625 . . . . 0.0 110.275 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -136.94 95.74 3.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.854 -0.528 . . . . 0.0 109.826 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.524 3.245 0 C-N-CA 123.224 0.609 . . . . 0.0 111.364 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 110.782 -0.081 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 31.6 m -130.91 -136.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -115.31 162.9 16.46 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.21 -0.931 . . . . 0.0 108.934 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -37.93 74.3 Favored 'General case' 0 N--CA 1.516 2.848 0 O-C-N 121.318 -0.864 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.43 -54.44 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.645 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.2 tt0 -62.16 -33.13 73.92 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.5 -39.65 94.19 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.749 -0.595 . . . . 0.0 109.918 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -41.2 97.89 Favored 'General case' 0 N--CA 1.515 2.776 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 177.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -66.04 -44.66 83.98 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -63.72 -39.15 93.58 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 121.994 -0.441 . . . . 0.0 110.532 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -99.8 22.55 10.89 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.752 -0.592 . . . . 0.0 110.915 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.76 41.16 1.92 Allowed Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.215 -0.928 . . . . 0.0 111.346 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.51 -38.21 0.07 Allowed 'General case' 0 N--CA 1.515 2.797 0 CA-C-N 118.697 1.248 . . . . 0.0 113.071 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -53.43 -44.29 68.7 Favored 'General case' 0 N--CA 1.52 3.053 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.7 -74.27 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 125.772 1.629 . . . . 0.0 114.438 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -167.87 -73.29 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 118.69 0.677 . . . . 0.0 110.922 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -166.57 -54.96 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -14.46 23.57 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.6 mt-10 -64.52 -46.27 83.64 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.453 -0.779 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.17 -32.37 72.1 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.817 -0.552 . . . . 0.0 110.942 178.362 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.64 -51.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.536 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.5 pt-20 -76.32 -33.46 59.03 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.812 -0.555 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -65.7 -39.25 91.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.411 -0.806 . . . . 0.0 112.958 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -69.35 -11.67 61.01 Favored 'General case' 0 N--CA 1.513 2.698 0 CA-C-N 119.14 0.882 . . . . 0.0 112.602 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -45.34 2.39 Favored 'General case' 0 N--CA 1.512 2.665 0 CA-C-N 119.238 0.927 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -68.78 -17.41 64.02 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 112.229 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.3 mtpt -63.95 -65.5 0.67 Allowed 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 119.483 1.038 . . . . 0.0 110.058 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.43 -28.9 69.99 Favored 'General case' 0 N--CA 1.507 2.378 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.195 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.44 -30.57 53.4 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.635 -0.666 . . . . 0.0 111.304 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.37 105.3 8.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.63 -0.669 . . . . 0.0 109.696 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.507 2.419 0 CA-C-O 117.642 -1.171 . . . . 0.0 109.893 -179.709 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.504 2.252 0 CA-C-O 121.14 0.495 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.559 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 7.3 m -128.27 -122.29 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 6' ' ' GLN . 70.0 m -115.73 165.38 13.12 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-N 120.22 1.373 . . . . 0.0 109.731 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.06 -26.86 64.98 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 121.677 -0.639 . . . . 0.0 110.59 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.7 mm -91.51 -50.23 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 121.982 -0.449 . . . . 0.0 110.031 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.559 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 4.5 tt0 -59.85 -37.82 80.36 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 122.381 -0.199 . . . . 0.0 111.038 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.2 -36.96 76.31 Favored 'General case' 0 N--CA 1.513 2.707 0 O-C-N 121.573 -0.704 . . . . 0.0 110.214 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.1 mtm -69.7 -39.39 76.94 Favored 'General case' 0 N--CA 1.513 2.683 0 O-C-N 121.834 -0.541 . . . . 0.0 109.631 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -39.81 82.08 Favored 'General case' 0 N--CA 1.509 2.51 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.296 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.59 -48.96 71.49 Favored 'General case' 0 N--CA 1.515 2.82 0 CA-C-N 118.409 0.55 . . . . 0.0 110.562 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.22 20.77 15.13 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.729 -0.607 . . . . 0.0 110.181 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.79 45.65 1.11 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.6 -37.72 0.09 Allowed 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 118.017 0.908 . . . . 0.0 112.137 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.59 -44.34 46.92 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -20.58 -72.63 0.02 OUTLIER 'General case' 0 N--CA 1.528 3.474 0 C-N-CA 125.6 1.56 . . . . 0.0 114.15 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -167.86 -72.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.44 0 CA-C-N 118.643 0.656 . . . . 0.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -168.37 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -13.43 25.17 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.42 -49.03 73.12 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.417 -0.802 . . . . 0.0 109.667 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.48 -30.72 67.21 Favored 'General case' 0 N--CA 1.517 2.884 0 O-C-N 122.047 -0.408 . . . . 0.0 111.18 178.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.46 -53.98 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.5 -28.9 56.6 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.813 -0.555 . . . . 0.0 111.45 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 55.0 t90 -68.38 -40.55 81.35 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.594 -0.691 . . . . 0.0 111.46 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -67.24 -11.8 58.42 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 118.673 0.67 . . . . 0.0 112.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -112.97 -48.86 2.96 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 119.384 0.993 . . . . 0.0 112.105 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -71.46 -18.43 62.31 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -64.6 0.82 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.431 1.014 . . . . 0.0 110.498 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.52 -30.8 70.87 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.247 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.88 -39.2 64.1 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.764 -0.585 . . . . 0.0 110.334 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 64.25 157.35 0.08 Allowed 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 121.705 0.764 . . . . 0.0 112.532 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.511 2.602 0 O-C-N 121.624 -0.673 . . . . 0.0 111.162 179.476 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.504 2.245 0 CA-C-O 120.239 0.066 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.454 HG21 ' HG3' ' A' ' 6' ' ' GLN . 7.3 m -130.93 -124.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -107.09 162.26 14.02 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 119.942 1.246 . . . . 0.0 109.378 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.12 -38.63 58.05 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 121.629 -0.669 . . . . 0.0 110.706 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.84 -53.3 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 122.084 -0.385 . . . . 0.0 110.101 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG3' HG21 ' A' ' 2' ' ' VAL . 4.3 tp-100 -58.75 -29.59 66.87 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.196 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HG ' HG22 ' A' ' 2' ' ' VAL . 12.6 mt -61.21 -46.85 88.74 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.8 mtm -60.5 -41.31 94.06 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -65.29 -42.77 92.78 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.29 -45.99 89.75 Favored 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.984 -0.448 . . . . 0.0 110.019 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.14 28.77 3.83 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 122.022 -0.423 . . . . 0.0 110.361 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.01 52.3 0.82 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -146.89 -47.78 0.18 Allowed 'General case' 0 N--CA 1.513 2.725 0 CA-C-N 117.301 0.551 . . . . 0.0 111.497 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -39.98 -47.31 2.22 Favored 'General case' 0 N--CA 1.523 3.181 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -19.96 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 125.419 1.488 . . . . 0.0 114.119 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -168.75 -73.11 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.675 -0.641 . . . . 0.0 111.016 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -168.46 -55.55 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 mtt -94.54 -14.1 25.4 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.88 -49.73 69.33 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.37 -0.831 . . . . 0.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.99 -31.09 64.72 Favored 'General case' 0 N--CA 1.519 3.009 0 O-C-N 122.036 -0.415 . . . . 0.0 111.203 178.334 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.66 -54.61 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.487 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.01 -28.68 57.87 Favored 'General case' 0 N--CA 1.513 2.677 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.382 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -67.45 -38.15 84.07 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.573 -0.704 . . . . 0.0 111.668 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -70.57 -11.42 60.92 Favored 'General case' 0 N--CA 1.508 2.43 0 CA-C-N 118.7 0.682 . . . . 0.0 111.812 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -114.28 -48.37 2.89 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.181 0.9 . . . . 0.0 112.094 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.12 63.56 Favored 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.552 -0.718 . . . . 0.0 112.633 -178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 2.2 mtpt -59.05 -65.15 0.71 Allowed 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 119.658 1.117 . . . . 0.0 110.352 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.12 -29.25 67.24 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 122.3 -0.25 . . . . 0.0 111.499 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -73.31 -37.9 66.03 Favored 'General case' 0 N--CA 1.509 2.51 0 O-C-N 121.713 -0.617 . . . . 0.0 111.107 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.96 -50.29 8.17 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 121.675 -0.641 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.509 2.496 0 CA-C-O 117.503 -1.236 . . . . 0.0 111.166 179.641 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.504 2.236 0 CA-C-O 121.087 0.47 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.09 -61.01 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.47 0 O-C-N 121.796 -0.565 . . . . 0.0 110.13 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -115.4 -6.87 12.32 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.805 -0.559 . . . . 0.0 112.078 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.92 14.75 9.95 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 121.824 -0.547 . . . . 0.0 110.62 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.8 mt -128.51 -42.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.13 -45.62 87.04 Favored 'General case' 0 N--CA 1.513 2.693 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.5 -39.1 67.23 Favored 'General case' 0 N--CA 1.514 2.771 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.5 mtt -69.8 -42.36 73.83 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -69.88 -43.37 71.96 Favored 'General case' 0 N--CA 1.512 2.671 0 O-C-N 122.039 -0.413 . . . . 0.0 110.62 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -64.6 -39.86 94.48 Favored 'General case' 0 N--CA 1.509 2.51 0 O-C-N 121.852 -0.53 . . . . 0.0 110.032 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -93.6 20.21 7.66 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.865 -0.522 . . . . 0.0 110.702 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.05 40.3 1.86 Allowed Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -139.87 -50.91 0.5 Allowed 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 117.954 0.877 . . . . 0.0 112.068 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -41.6 -49.77 4.11 Favored 'General case' 0 N--CA 1.523 3.188 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 20' ' ' ARG . 2.5 mp -10.69 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.331 0 C-N-CA 126.18 1.792 . . . . 0.0 115.619 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -167.07 -69.8 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 118.78 0.718 . . . . 0.0 111.734 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.67 -57.0 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtm -93.9 -18.33 22.07 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.82 -43.79 87.54 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.601 -0.687 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.85 -32.34 72.67 Favored 'General case' 0 N--CA 1.522 3.147 0 O-C-N 121.577 -0.702 . . . . 0.0 110.967 178.435 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.03 -55.0 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.14 -30.64 70.69 Favored 'General case' 0 N--CA 1.515 2.796 0 O-C-N 122.137 -0.352 . . . . 0.0 111.447 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 t90 -71.85 -32.26 67.33 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.486 -0.759 . . . . 0.0 112.021 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.5 11.91 4.18 Favored 'General case' 0 N--CA 1.511 2.61 0 CA-C-N 119.358 0.981 . . . . 0.0 111.629 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -50.18 0.53 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.221 -0.924 . . . . 0.0 110.804 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -17.57 62.47 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.674 -0.641 . . . . 0.0 111.785 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.4 mtpt -67.27 -64.71 0.8 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 119.286 0.948 . . . . 0.0 109.869 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.6 -31.67 70.83 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 122.371 -0.205 . . . . 0.0 111.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -77.62 -35.84 52.32 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 121.618 -0.676 . . . . 0.0 110.499 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -131.2 100.16 5.1 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.509 2.509 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.921 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.502 2.149 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 59.6 t -136.83 -94.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.38 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -136.08 -177.63 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.606 1.094 . . . . 0.0 111.163 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.31 21.33 2.47 Favored 'General case' 0 N--CA 1.51 2.561 0 O-C-N 121.562 -0.711 . . . . 0.0 110.694 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.85 -53.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -56.62 -52.56 64.4 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.52 -38.47 77.81 Favored 'General case' 0 N--CA 1.515 2.811 0 O-C-N 122.079 -0.388 . . . . 0.0 110.373 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.8 mmt -63.0 -42.97 99.99 Favored 'General case' 0 N--CA 1.517 2.904 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -63.8 -45.41 89.8 Favored 'General case' 0 N--CA 1.513 2.693 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -65.94 -42.96 89.34 Favored 'General case' 0 N--CA 1.513 2.698 0 O-C-N 122.027 -0.421 . . . . 0.0 110.732 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.97 12.4 13.4 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 121.869 -0.519 . . . . 0.0 111.622 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.67 46.52 1.08 Allowed Glycine 0 N--CA 1.496 2.642 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -130.58 -39.22 1.29 Allowed 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 117.515 0.658 . . . . 0.0 111.993 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -42.11 -43.9 3.45 Favored 'General case' 0 N--CA 1.523 3.193 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.9 mp -19.02 -73.52 0.01 OUTLIER 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 125.429 1.492 . . . . 0.0 114.416 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -168.17 -74.75 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 118.621 0.646 . . . . 0.0 110.992 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.29 -56.04 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -92.83 -15.78 26.09 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.26 -51.54 65.73 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 121.468 -0.77 . . . . 0.0 110.019 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.43 -29.17 65.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 122.102 -0.374 . . . . 0.0 111.514 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.88 -46.19 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 121.806 -0.559 . . . . 0.0 109.54 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 pt-20 -85.29 -24.61 27.64 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -75.36 -29.51 59.94 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 112.0 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.51 29.38 0.88 Allowed 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 119.321 0.964 . . . . 0.0 111.306 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -146.63 -51.67 0.22 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.259 -0.901 . . . . 0.0 111.089 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.1 -11.39 52.82 Favored 'General case' 0 N--CA 1.518 2.96 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.07 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -56.34 21.85 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 119.427 1.012 . . . . 0.0 110.59 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.17 -26.49 66.36 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.529 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -79.5 -49.06 12.84 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.65 -0.656 . . . . 0.0 109.908 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 37.77 -146.58 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.846 0.858 . . . . 0.0 112.907 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.509 2.492 0 CA-C-O 117.613 -1.184 . . . . 0.0 109.582 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.799 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.71 -36.24 0.07 Allowed 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 118.504 1.152 . . . . 0.0 112.841 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -50.39 -43.71 54.65 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -22.95 -73.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.271 0 C-N-CA 125.557 1.543 . . . . 0.0 113.967 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -169.31 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 118.767 0.712 . . . . 0.0 110.958 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -170.24 -56.84 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptp -90.27 -19.04 24.57 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.0 mt-10 -63.55 -44.52 93.9 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.643 -0.66 . . . . 0.0 110.509 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.838 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.02 -33.96 76.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.577 178.433 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.13 -49.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.703 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.7 pt-20 -77.28 -31.41 54.83 Favored 'General case' 0 N--CA 1.508 2.445 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.91 -36.1 82.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.53 -0.732 . . . . 0.0 112.192 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.43 -10.09 59.35 Favored 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.48 1.036 . . . . 0.0 112.055 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -44.07 2.58 Favored 'General case' 0 N--CA 1.515 2.776 0 O-C-N 121.261 -0.899 . . . . 0.0 111.356 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -15.78 58.49 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.51 2.558 0 CA-C-N 119.594 1.088 . . . . 0.0 111.431 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.776 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.96 -36.46 0.08 Allowed 'General case' 0 N--CA 1.516 2.845 0 CA-C-N 118.518 1.159 . . . . 0.0 112.737 179.362 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -49.7 -43.28 47.41 Favored 'General case' 0 N--CA 1.521 3.099 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.876 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -23.56 -74.72 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 125.585 1.554 . . . . 0.0 113.927 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -169.89 -75.54 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 118.86 0.755 . . . . 0.0 110.911 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.49 -61.7 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -18.59 30.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . 15.4 mt-10 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.519 -0.738 . . . . 0.0 110.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.876 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.79 -32.41 74.09 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 121.654 -0.654 . . . . 0.0 110.544 178.057 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.29 -47.53 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -79.63 -33.55 41.3 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.686 -0.634 . . . . 0.0 110.632 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.78 -33.7 74.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.291 -0.881 . . . . 0.0 112.016 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 pp -71.2 -12.18 61.33 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 119.337 0.971 . . . . 0.0 111.806 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -112.48 -50.57 2.89 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.202 0.91 . . . . 0.0 112.77 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -82.26 -3.02 54.38 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.368 0 CA-C-N 119.774 1.17 . . . . 0.0 110.621 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.803 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.97 17.27 0.5 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.3 p80 -104.07 -38.67 6.85 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.391 -0.818 . . . . 0.0 109.966 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.0 mp -17.88 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.156 0 C-N-CA 126.225 1.81 . . . . 0.0 114.306 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -164.66 -70.82 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.632 -0.667 . . . . 0.0 110.91 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 p -170.55 -53.61 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.3 mmt -98.07 -17.5 19.07 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.4 mm-40 -63.98 -36.08 82.81 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.531 -0.73 . . . . 0.0 110.598 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.1 -33.44 74.53 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.638 -0.664 . . . . 0.0 110.103 177.668 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.79 -51.76 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.612 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.8 pt-20 -72.38 -35.25 68.4 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.995 -0.441 . . . . 0.0 111.107 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.88 -29.19 69.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.004 -1.06 . . . . 0.0 111.981 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.78 13.52 4.72 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 119.198 0.908 . . . . 0.0 111.426 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -136.57 -52.32 0.7 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.139 -0.975 . . . . 0.0 111.302 179.047 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.61 -9.58 58.76 Favored 'General case' 0 N--CA 1.518 2.973 0 CA-C-N 119.541 1.064 . . . . 0.0 112.986 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 CA-C-N 119.389 0.995 . . . . 0.0 109.671 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.28 -36.7 0.07 Allowed 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 118.458 1.129 . . . . 0.0 112.769 179.327 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -50.31 -43.86 53.93 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -20.73 -73.32 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 125.812 1.645 . . . . 0.0 114.193 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -167.7 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 118.627 0.649 . . . . 0.0 110.818 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -167.45 -53.25 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.9 mmt -98.57 -15.55 19.46 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.4 mm-40 -65.15 -38.16 89.69 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.454 -0.779 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.829 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -33.58 76.14 Favored 'General case' 0 N--CA 1.518 2.946 0 O-C-N 121.588 -0.695 . . . . 0.0 110.229 177.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' CZ ' ' A' ' 25' ' ' ARG . 94.2 t -61.85 -55.72 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.531 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.1 pt-20 -67.23 -34.48 77.55 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 122.032 -0.418 . . . . 0.0 111.13 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -66.64 -37.84 85.65 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.54 -0.725 . . . . 0.0 111.602 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.3 mt -67.74 -13.11 61.84 Favored 'General case' 0 N--CA 1.51 2.545 0 CA-C-N 118.755 0.707 . . . . 0.0 111.99 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 1.9 ptt180 -115.02 -47.53 2.86 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.183 0.901 . . . . 0.0 111.951 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -15.79 60.91 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.599 0 CA-C-N 119.769 1.168 . . . . 0.0 111.878 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.629 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.54 -37.73 0.09 Allowed 'General case' 0 N--CA 1.513 2.718 0 CA-C-N 117.991 0.896 . . . . 0.0 113.072 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -49.66 -45.25 48.36 Favored 'General case' 0 N--CA 1.527 3.423 0 O-C-N 121.28 -0.888 . . . . 0.0 113.261 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -18.8 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 125.863 1.665 . . . . 0.0 114.524 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -168.77 -71.85 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.697 0.68 . . . . 0.0 111.109 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.18 -55.98 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 ptp -91.61 -19.84 22.29 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.2 mm-40 -65.95 -40.54 91.41 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.706 -0.621 . . . . 0.0 111.017 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.819 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.54 -33.25 75.48 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 118.881 0.764 . . . . 0.0 110.267 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.84 -57.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -65.16 -40.0 93.74 Favored 'General case' 0 N--CA 1.512 2.627 0 CA-C-N 118.114 0.415 . . . . 0.0 111.079 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.62 -31.75 69.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.538 -0.726 . . . . 0.0 111.977 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.1 mt -82.02 11.89 4.7 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -49.02 0.7 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 121.113 -0.992 . . . . 0.0 110.527 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.44 -2.92 58.95 Favored 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -179.373 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.426 0 CA-C-N 119.586 1.084 . . . . 0.0 110.524 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.0 mtmm -146.91 -56.75 0.26 Allowed 'General case' 0 N--CA 1.512 2.631 0 CA-C-N 117.855 0.827 . . . . 0.0 112.224 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -44.31 -54.8 5.45 Favored 'General case' 0 N--CA 1.524 3.251 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -13.01 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 125.982 1.713 . . . . 0.0 114.782 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -169.04 -74.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.591 0.632 . . . . 0.0 111.181 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.45 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -93.17 -16.8 24.46 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 21.0 mt-10 -64.38 -46.62 82.56 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.524 -0.735 . . . . 0.0 110.223 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.779 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.72 -35.18 74.01 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 121.805 -0.56 . . . . 0.0 110.949 178.595 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.11 -54.58 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.9 pt-20 -71.2 -38.3 72.09 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.925 -0.484 . . . . 0.0 111.101 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 68.5 t90 -58.94 -36.0 74.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 111.94 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -9.97 57.66 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 118.858 0.754 . . . . 0.0 111.877 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.72 -49.57 2.72 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 119.36 0.982 . . . . 0.0 111.671 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.22 7.34 28.84 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.438 0 CA-C-N 119.884 1.22 . . . . 0.0 110.791 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.869 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.47 -36.26 0.07 Allowed 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 118.509 1.154 . . . . 0.0 112.7 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -49.48 -43.55 45.26 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.78 -73.64 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.277 0 C-N-CA 125.679 1.592 . . . . 0.0 114.071 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -168.84 -72.03 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.508 0 CA-C-N 118.721 0.691 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.94 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -17.01 24.0 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.3 mm-40 -64.59 -37.17 86.65 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.541 -0.724 . . . . 0.0 110.767 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.854 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -34.94 75.67 Favored 'General case' 0 N--CA 1.517 2.924 0 O-C-N 121.518 -0.739 . . . . 0.0 109.802 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -52.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.579 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.2 pt-20 -67.9 -45.31 74.81 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.501 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.562 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 72.6 t90 -55.72 -36.32 67.09 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 118.481 0.582 . . . . 0.0 112.533 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.97 -9.5 55.37 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 118.856 0.753 . . . . 0.0 112.039 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 N--CA 1.51 2.538 0 CA-C-N 119.321 0.964 . . . . 0.0 111.25 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -80.18 -2.18 43.64 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.235 0 CA-C-N 119.788 1.177 . . . . 0.0 110.315 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.702 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -135.95 -41.4 0.67 Allowed 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 117.946 0.873 . . . . 0.0 111.58 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -42.63 -46.16 4.89 Favored 'General case' 0 N--CA 1.526 3.36 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.6 mp -17.89 -74.08 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.482 0 C-N-CA 125.556 1.542 . . . . 0.0 114.564 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -168.37 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 118.711 0.687 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.81 -55.31 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.62 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -94.96 -17.88 21.58 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 53.6 mm-40 -64.62 -38.95 92.75 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.807 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.89 -31.34 71.88 Favored 'General case' 0 N--CA 1.52 3.038 0 O-C-N 121.576 -0.703 . . . . 0.0 110.403 178.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.56 -53.26 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.611 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.1 pt-20 -68.71 -24.66 64.51 Favored 'General case' 0 N--CA 1.516 2.833 0 O-C-N 121.997 -0.439 . . . . 0.0 111.428 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -82.37 -30.96 29.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.422 -0.799 . . . . 0.0 112.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -85.57 37.61 0.7 Allowed 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.241 0.928 . . . . 0.0 110.896 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -155.76 -49.99 0.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.361 -0.837 . . . . 0.0 110.943 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB3' ' HD2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -86.01 -14.09 45.57 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.76 -0.587 . . . . 0.0 112.306 -179.463 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.307 0 CA-C-N 119.279 0.945 . . . . 0.0 111.235 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.701 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.23 -36.9 0.07 Allowed 'General case' 0 N--CA 1.516 2.849 0 CA-C-N 118.559 1.18 . . . . 0.0 112.782 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -50.13 -43.86 52.03 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 121.489 -0.757 . . . . 0.0 113.036 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.19 -73.93 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.313 0 C-N-CA 125.798 1.639 . . . . 0.0 114.227 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -168.25 -72.04 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.492 0 CA-C-N 118.743 0.701 . . . . 0.0 111.052 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -167.23 -56.72 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 mmm -95.94 -15.43 22.37 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 55.3 mm-40 -65.26 -38.58 90.75 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.478 -0.764 . . . . 0.0 110.474 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.857 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.99 -33.88 76.82 Favored 'General case' 0 N--CA 1.518 2.951 0 O-C-N 121.629 -0.67 . . . . 0.0 110.133 177.617 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.63 -56.73 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -65.41 -36.69 84.7 Favored 'General case' 0 N--CA 1.514 2.741 0 CA-C-N 117.975 0.352 . . . . 0.0 111.161 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -64.84 -34.08 77.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.639 -0.663 . . . . 0.0 112.185 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.01 -5.45 46.4 Favored 'General case' 0 N--CA 1.509 2.509 0 CA-C-N 119.083 0.856 . . . . 0.0 112.028 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -42.63 2.05 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.234 -0.916 . . . . 0.0 111.249 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -18.55 58.56 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.466 -0.772 . . . . 0.0 112.303 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 CA-C-N 119.251 0.932 . . . . 0.0 110.643 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.795 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.67 -32.84 0.09 Allowed 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.172 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 15.3 p80 -50.13 -45.89 53.36 Favored 'General case' 0 N--CA 1.525 3.301 0 O-C-N 121.229 -0.919 . . . . 0.0 112.941 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.911 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -18.55 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 125.92 1.688 . . . . 0.0 114.084 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 17.6 t30 -169.68 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.719 0.69 . . . . 0.0 110.979 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t -165.61 -60.12 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -18.04 28.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 16' ' ' ASN . 17.0 mt-10 -61.32 -50.12 74.24 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.911 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.84 -32.03 71.44 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 118.416 0.553 . . . . 0.0 110.794 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.34 -56.31 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -68.37 -37.81 80.79 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 121.799 -0.563 . . . . 0.0 110.434 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 75.0 t90 -58.32 -35.49 71.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.771 -0.581 . . . . 0.0 111.458 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.85 -9.42 57.57 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.535 -0.728 . . . . 0.0 111.59 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.7 -51.55 2.85 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.226 -0.921 . . . . 0.0 110.549 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.74 5.6 39.15 Favored 'General case' 0 N--CA 1.514 2.733 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.503 0 CA-C-N 120.112 1.323 . . . . 0.0 110.664 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.3 mtmm -144.39 -53.0 0.32 Allowed 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 117.983 0.892 . . . . 0.0 112.206 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -41.81 -51.25 4.28 Favored 'General case' 0 N--CA 1.527 3.399 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -11.85 -76.23 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 126.287 1.835 . . . . 0.0 115.372 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -168.03 -72.4 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 118.805 0.73 . . . . 0.0 111.747 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.74 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -19.17 23.52 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.2 mm-40 -64.49 -44.06 92.2 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.543 -0.723 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.782 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -62.07 -33.13 73.84 Favored 'General case' 0 N--CA 1.522 3.172 0 O-C-N 121.558 -0.714 . . . . 0.0 110.701 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.71 -57.34 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.5 pt-20 -65.4 -38.89 91.31 Favored 'General case' 0 N--CA 1.513 2.675 0 CA-C-N 117.965 0.348 . . . . 0.0 111.408 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -59.54 -31.52 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 112.152 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.1 16.43 2.93 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.223 -0.923 . . . . 0.0 111.261 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.86 -49.08 0.47 Allowed 'General case' 0 N--CA 1.513 2.678 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.41 -2.84 58.82 Favored 'General case' 0 N--CA 1.515 2.811 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.299 0 CA-C-N 119.591 1.087 . . . . 0.0 110.596 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.923 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.1 -35.72 0.08 Allowed 'General case' 0 N--CA 1.516 2.852 0 CA-C-N 118.514 1.157 . . . . 0.0 112.662 179.392 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.24 -43.26 42.57 Favored 'General case' 0 N--CA 1.521 3.118 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.908 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.7 mp -22.4 -74.4 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.222 0 C-N-CA 125.727 1.611 . . . . 0.0 114.027 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -169.11 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.562 0 CA-C-N 118.756 0.707 . . . . 0.0 110.855 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.19 -60.41 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -19.53 24.88 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 48.8 mm-40 -61.09 -39.97 91.96 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.602 -0.687 . . . . 0.0 110.575 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.908 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.0 -33.2 71.73 Favored 'General case' 0 N--CA 1.519 2.982 0 O-C-N 121.461 -0.775 . . . . 0.0 110.085 177.211 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.07 -47.71 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.644 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.8 pt-20 -75.65 -35.83 60.32 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 121.741 -0.6 . . . . 0.0 110.548 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -62.44 -31.89 72.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 0.0 112.449 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.52 -9.75 59.0 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.663 1.12 . . . . 0.0 111.77 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -114.16 -50.51 2.81 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.28 0.945 . . . . 0.0 112.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.31 -6.36 57.82 Favored 'General case' 0 N--CA 1.52 3.038 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.249 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.349 0 CA-C-N 119.72 1.145 . . . . 0.0 110.648 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 15' ' ' LEU . 9.7 mtmm -146.09 -56.26 0.29 Allowed 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 118.094 0.947 . . . . 0.0 112.156 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -42.43 -51.65 4.89 Favored 'General case' 0 N--CA 1.523 3.197 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -15.27 -73.71 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 125.767 1.627 . . . . 0.0 114.63 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.41 -73.07 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 118.664 0.665 . . . . 0.0 111.251 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -166.87 -55.73 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.66 -16.59 21.93 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 54.9 mm-40 -64.9 -38.31 90.53 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.529 -0.732 . . . . 0.0 110.676 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.813 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.46 -32.52 73.94 Favored 'General case' 0 N--CA 1.519 3.014 0 O-C-N 121.5 -0.75 . . . . 0.0 110.185 177.715 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.41 -55.29 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.4 pt-20 -66.91 -29.98 70.0 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 122.138 -0.351 . . . . 0.0 111.357 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 66.5 t90 -73.1 -32.06 64.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.411 -0.806 . . . . 0.0 111.809 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.1 mt -82.27 13.04 3.76 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 118.996 0.816 . . . . 0.0 111.651 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 -48.7 0.56 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.202 -0.936 . . . . 0.0 110.909 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -21.56 60.39 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.71 -0.619 . . . . 0.0 111.842 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.0 mtpt . . . . . 0 N--CA 1.507 2.417 0 CA-C-N 119.311 0.959 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.911 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.29 -36.44 0.07 Allowed 'General case' 0 N--CA 1.516 2.861 0 CA-C-N 118.464 1.132 . . . . 0.0 112.679 179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -50.05 -43.44 51.1 Favored 'General case' 0 N--CA 1.52 3.034 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -22.5 -73.38 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.244 0 C-N-CA 125.572 1.549 . . . . 0.0 113.921 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -169.61 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 118.712 0.687 . . . . 0.0 110.869 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -167.92 -57.09 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -14.63 26.81 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.2 mt-10 -65.16 -46.48 80.67 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.43 -0.794 . . . . 0.0 109.969 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.74 -31.88 72.08 Favored 'General case' 0 N--CA 1.519 3.008 0 O-C-N 121.705 -0.622 . . . . 0.0 110.575 178.111 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.36 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.3 pt-20 -70.68 -32.47 69.74 Favored 'General case' 0 N--CA 1.513 2.708 0 O-C-N 121.872 -0.518 . . . . 0.0 110.99 178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -66.14 -35.73 81.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.558 -0.714 . . . . 0.0 111.508 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.73 -12.09 61.34 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 118.745 0.702 . . . . 0.0 111.748 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -115.56 -48.15 2.79 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.24 -0.913 . . . . 0.0 112.06 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -17.39 62.19 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.343 0 CA-C-N 119.668 1.122 . . . . 0.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.828 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.1 -35.82 0.07 Allowed 'General case' 0 N--CA 1.516 2.828 0 CA-C-N 118.248 1.024 . . . . 0.0 112.555 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -48.45 -43.53 34.61 Favored 'General case' 0 N--CA 1.522 3.159 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.84 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.274 0 C-N-CA 125.517 1.527 . . . . 0.0 113.768 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -168.64 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.667 -0.646 . . . . 0.0 110.722 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.49 -56.29 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 ptp -90.22 -18.34 25.87 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.122 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -62.31 -50.79 70.25 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.566 -0.709 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.836 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.518 2.972 0 O-C-N 121.916 -0.49 . . . . 0.0 111.202 178.567 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.47 -50.88 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.605 0 CA-C-N 118.349 0.522 . . . . 0.0 109.756 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.62 -26.72 41.1 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.696 -0.628 . . . . 0.0 111.016 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 64.0 t90 -67.7 -36.11 80.03 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.604 -0.685 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.17 -13.55 62.24 Favored 'General case' 0 N--CA 1.512 2.625 0 CA-C-N 119.251 0.932 . . . . 0.0 111.834 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -114.59 -48.74 2.85 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 118.992 0.814 . . . . 0.0 112.092 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -17.27 63.65 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.536 -0.728 . . . . 0.0 112.593 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.217 0 CA-C-N 119.732 1.151 . . . . 0.0 110.386 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.549 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.51 -38.21 0.07 Allowed 'General case' 0 N--CA 1.515 2.797 0 CA-C-N 118.697 1.248 . . . . 0.0 113.071 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -53.43 -44.29 68.7 Favored 'General case' 0 N--CA 1.52 3.053 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.7 -74.27 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 125.772 1.629 . . . . 0.0 114.438 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -167.87 -73.29 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 118.69 0.677 . . . . 0.0 110.922 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -166.57 -54.96 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -14.46 23.57 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.6 mt-10 -64.52 -46.27 83.64 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.453 -0.779 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.17 -32.37 72.1 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.817 -0.552 . . . . 0.0 110.942 178.362 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.64 -51.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.536 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.5 pt-20 -76.32 -33.46 59.03 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.812 -0.555 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -65.7 -39.25 91.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.411 -0.806 . . . . 0.0 112.958 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -69.35 -11.67 61.01 Favored 'General case' 0 N--CA 1.513 2.698 0 CA-C-N 119.14 0.882 . . . . 0.0 112.602 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -45.34 2.39 Favored 'General case' 0 N--CA 1.512 2.665 0 CA-C-N 119.238 0.927 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -68.78 -17.41 64.02 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 112.229 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.3 mtpt . . . . . 0 N--CA 1.504 2.244 0 CA-C-N 119.483 1.038 . . . . 0.0 110.058 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.6 -37.72 0.09 Allowed 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 118.017 0.908 . . . . 0.0 112.137 179.235 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.59 -44.34 46.92 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -20.58 -72.63 0.02 OUTLIER 'General case' 0 N--CA 1.528 3.474 0 C-N-CA 125.6 1.56 . . . . 0.0 114.15 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -167.86 -72.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.44 0 CA-C-N 118.643 0.656 . . . . 0.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -168.37 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -13.43 25.17 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.42 -49.03 73.12 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.417 -0.802 . . . . 0.0 109.667 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.48 -30.72 67.21 Favored 'General case' 0 N--CA 1.517 2.884 0 O-C-N 122.047 -0.408 . . . . 0.0 111.18 178.106 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.46 -53.98 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.5 -28.9 56.6 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.813 -0.555 . . . . 0.0 111.45 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -68.38 -40.55 81.35 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.594 -0.691 . . . . 0.0 111.46 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -67.24 -11.8 58.42 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 118.673 0.67 . . . . 0.0 112.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -112.97 -48.86 2.96 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 119.384 0.993 . . . . 0.0 112.105 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -18.43 62.31 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.334 0 CA-C-N 119.431 1.014 . . . . 0.0 110.498 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 20.6 mtmm -146.89 -47.78 0.18 Allowed 'General case' 0 N--CA 1.513 2.725 0 CA-C-N 117.301 0.551 . . . . 0.0 111.497 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -39.98 -47.31 2.22 Favored 'General case' 0 N--CA 1.523 3.181 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -19.96 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 125.419 1.488 . . . . 0.0 114.119 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -168.75 -73.11 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.675 -0.641 . . . . 0.0 111.016 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -168.46 -55.55 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 mtt -94.54 -14.1 25.4 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.88 -49.73 69.33 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.37 -0.831 . . . . 0.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.99 -31.09 64.72 Favored 'General case' 0 N--CA 1.519 3.009 0 O-C-N 122.036 -0.415 . . . . 0.0 111.203 178.334 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.66 -54.61 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.487 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.01 -28.68 57.87 Favored 'General case' 0 N--CA 1.513 2.677 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.382 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -67.45 -38.15 84.07 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.573 -0.704 . . . . 0.0 111.668 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -70.57 -11.42 60.92 Favored 'General case' 0 N--CA 1.508 2.43 0 CA-C-N 118.7 0.682 . . . . 0.0 111.812 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -114.28 -48.37 2.89 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.181 0.9 . . . . 0.0 112.094 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.12 63.56 Favored 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.552 -0.718 . . . . 0.0 112.633 -178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 2.2 mtpt . . . . . 0 N--CA 1.506 2.368 0 CA-C-N 119.658 1.117 . . . . 0.0 110.352 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 11.6 mtmt -139.87 -50.91 0.5 Allowed 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 117.954 0.877 . . . . 0.0 112.068 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -41.6 -49.77 4.11 Favored 'General case' 0 N--CA 1.523 3.188 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.5 mp -10.69 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.331 0 C-N-CA 126.18 1.792 . . . . 0.0 115.619 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -167.07 -69.8 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 118.78 0.718 . . . . 0.0 111.734 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.67 -57.0 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtm -93.9 -18.33 22.07 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 56.0 mm-40 -65.82 -43.79 87.54 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.601 -0.687 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.786 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.85 -32.34 72.67 Favored 'General case' 0 N--CA 1.522 3.147 0 O-C-N 121.577 -0.702 . . . . 0.0 110.967 178.435 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.03 -55.0 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 9.9 pt-20 -67.14 -30.64 70.69 Favored 'General case' 0 N--CA 1.515 2.796 0 O-C-N 122.137 -0.352 . . . . 0.0 111.447 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 t90 -71.85 -32.26 67.33 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.486 -0.759 . . . . 0.0 112.021 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.5 11.91 4.18 Favored 'General case' 0 N--CA 1.511 2.61 0 CA-C-N 119.358 0.981 . . . . 0.0 111.629 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -50.18 0.53 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.221 -0.924 . . . . 0.0 110.804 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -17.57 62.47 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.674 -0.641 . . . . 0.0 111.785 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.4 mtpt . . . . . 0 N--CA 1.504 2.268 0 CA-C-N 119.286 0.948 . . . . 0.0 109.869 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA3' ' CZ3' ' A' ' 23' ' ' TRP . . . . . . . . 0 N--CA 1.496 2.642 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 15' ' ' LEU . 25.8 mmmt -130.58 -39.22 1.29 Allowed 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 117.515 0.658 . . . . 0.0 111.993 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -42.11 -43.9 3.45 Favored 'General case' 0 N--CA 1.523 3.193 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.9 mp -19.02 -73.52 0.01 OUTLIER 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 125.429 1.492 . . . . 0.0 114.416 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -168.17 -74.75 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 118.621 0.646 . . . . 0.0 110.992 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.29 -56.04 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -92.83 -15.78 26.09 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.26 -51.54 65.73 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 121.468 -0.77 . . . . 0.0 110.019 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.778 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.43 -29.17 65.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 122.102 -0.374 . . . . 0.0 111.514 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.88 -46.19 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 121.806 -0.559 . . . . 0.0 109.54 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 pt-20 -85.29 -24.61 27.64 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' CZ3' ' HA3' ' A' ' 12' ' ' GLY . 48.8 t90 -75.36 -29.51 59.94 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 112.0 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.51 29.38 0.88 Allowed 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 119.321 0.964 . . . . 0.0 111.306 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -146.63 -51.67 0.22 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.259 -0.901 . . . . 0.0 111.089 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.1 -11.39 52.82 Favored 'General case' 0 N--CA 1.518 2.96 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.07 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.311 0 CA-C-N 119.427 1.012 . . . . 0.0 110.59 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.503 2.177 0 CA-C-O 121.435 0.636 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.454 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 22.9 m -133.46 -134.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -108.89 161.94 14.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.135 -0.978 . . . . 0.0 108.566 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -40.18 76.07 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 121.251 -0.905 . . . . 0.0 110.219 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -65.19 -54.17 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.577 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 12.9 tp60 -60.86 -35.61 77.04 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 122.443 -0.161 . . . . 0.0 110.676 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -40.57 97.52 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.71 -0.619 . . . . 0.0 110.012 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mmt -65.86 -41.5 91.57 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -62.71 -43.41 98.88 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.14 -38.03 87.43 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 122.126 -0.359 . . . . 0.0 110.572 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.85 20.93 11.27 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.812 -0.555 . . . . 0.0 111.186 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.7 39.42 1.98 Allowed Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.111 -0.993 . . . . 0.0 111.064 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.71 -36.24 0.07 Allowed 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 118.504 1.152 . . . . 0.0 112.841 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -50.39 -43.71 54.65 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -22.95 -73.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.271 0 C-N-CA 125.557 1.543 . . . . 0.0 113.967 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -169.31 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 118.767 0.712 . . . . 0.0 110.958 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -170.24 -56.84 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptp -90.27 -19.04 24.57 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.0 mt-10 -63.55 -44.52 93.9 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.643 -0.66 . . . . 0.0 110.509 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.838 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.02 -33.96 76.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.577 178.433 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.13 -49.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.703 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.7 pt-20 -77.28 -31.41 54.83 Favored 'General case' 0 N--CA 1.508 2.445 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.91 -36.1 82.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.53 -0.732 . . . . 0.0 112.192 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.43 -10.09 59.35 Favored 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.48 1.036 . . . . 0.0 112.055 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -44.07 2.58 Favored 'General case' 0 N--CA 1.515 2.776 0 O-C-N 121.261 -0.899 . . . . 0.0 111.356 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -15.78 58.49 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -57.97 10.22 Favored 'General case' 0 N--CA 1.51 2.558 0 CA-C-N 119.594 1.088 . . . . 0.0 111.431 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.89 -32.69 67.96 Favored 'General case' 0 N--CA 1.506 2.336 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.678 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -76.06 -45.95 31.6 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 121.608 -0.683 . . . . 0.0 109.491 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -136.72 102.73 4.99 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.517 2.893 0 CA-C-O 117.456 -1.259 . . . . 0.0 111.678 -179.03 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.504 2.259 0 CA-C-O 121.131 0.491 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 4.6 m -129.08 -120.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 6' ' ' GLN . 58.3 m -116.52 166.2 12.36 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 120.472 1.487 . . . . 0.0 110.1 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.7 -26.72 64.17 Favored 'General case' 0 N--CA 1.519 2.983 0 O-C-N 121.542 -0.724 . . . . 0.0 110.727 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.79 -52.3 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 13.7 tt0 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 122.238 0.215 . . . . 0.0 111.17 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.35 -34.79 77.36 Favored 'General case' 0 N--CA 1.513 2.702 0 O-C-N 121.624 -0.673 . . . . 0.0 110.535 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -67.94 -42.67 80.63 Favored 'General case' 0 N--CA 1.515 2.795 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -65.22 -45.29 85.29 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.76 -34.12 77.45 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 122.19 -0.319 . . . . 0.0 110.669 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 tp -98.32 22.35 9.77 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.748 -0.595 . . . . 0.0 111.089 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.44 37.35 2.46 Favored Glycine 0 N--CA 1.498 2.776 0 O-C-N 121.133 -0.98 . . . . 0.0 111.3 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.96 -36.46 0.08 Allowed 'General case' 0 N--CA 1.516 2.845 0 CA-C-N 118.518 1.159 . . . . 0.0 112.737 179.362 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -49.7 -43.28 47.41 Favored 'General case' 0 N--CA 1.521 3.099 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.876 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -23.56 -74.72 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 125.585 1.554 . . . . 0.0 113.927 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -169.89 -75.54 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 118.86 0.755 . . . . 0.0 110.911 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.49 -61.7 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -18.59 30.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . 15.4 mt-10 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.519 -0.738 . . . . 0.0 110.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.876 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.79 -32.41 74.09 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 121.654 -0.654 . . . . 0.0 110.544 178.057 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.29 -47.53 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -79.63 -33.55 41.3 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.686 -0.634 . . . . 0.0 110.632 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.78 -33.7 74.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.291 -0.881 . . . . 0.0 112.016 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 pp -71.2 -12.18 61.33 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 119.337 0.971 . . . . 0.0 111.806 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -112.48 -50.57 2.89 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.202 0.91 . . . . 0.0 112.77 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -82.26 -3.02 54.38 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -55.85 29.55 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 119.774 1.17 . . . . 0.0 110.621 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.73 -33.1 73.44 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.198 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -68.37 -39.45 81.77 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 121.744 -0.597 . . . . 0.0 109.668 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.77 150.01 36.24 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.51 2.564 0 O-C-N 121.864 -0.522 . . . . 0.0 111.124 179.29 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 121.311 0.577 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.504 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 15.4 m -133.95 -128.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -118.95 169.26 10.04 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.623 1.102 . . . . 0.0 109.725 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.8 -36.21 69.65 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 121.4 -0.813 . . . . 0.0 110.74 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.03 -54.76 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 O-C-N 121.89 -0.506 . . . . 0.0 109.923 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 12.1 tp60 -60.27 -37.92 81.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 122.054 -0.404 . . . . 0.0 111.009 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.62 -37.82 87.78 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.728 -0.608 . . . . 0.0 110.359 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -33.04 74.43 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -70.69 -41.29 72.19 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.721 -0.612 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -62.95 -45.04 94.31 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 122.068 -0.395 . . . . 0.0 110.17 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -104.09 37.44 2.07 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.87 37.69 1.91 Allowed Glycine 0 N--CA 1.498 2.803 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.97 17.27 0.5 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.3 p80 -104.07 -38.67 6.85 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.391 -0.818 . . . . 0.0 109.966 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.0 mp -17.88 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.156 0 C-N-CA 126.225 1.81 . . . . 0.0 114.306 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -164.66 -70.82 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.632 -0.667 . . . . 0.0 110.91 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 p -170.55 -53.61 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.3 mmt -98.07 -17.5 19.07 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.4 mm-40 -63.98 -36.08 82.81 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.531 -0.73 . . . . 0.0 110.598 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.1 -33.44 74.53 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.638 -0.664 . . . . 0.0 110.103 177.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.79 -51.76 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.612 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.8 pt-20 -72.38 -35.25 68.4 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.995 -0.441 . . . . 0.0 111.107 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.88 -29.19 69.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.004 -1.06 . . . . 0.0 111.981 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.78 13.52 4.72 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 119.198 0.908 . . . . 0.0 111.426 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -136.57 -52.32 0.7 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.139 -0.975 . . . . 0.0 111.302 179.047 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.61 -9.58 58.76 Favored 'General case' 0 N--CA 1.518 2.973 0 CA-C-N 119.541 1.064 . . . . 0.0 112.986 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -65.46 0.73 Allowed 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.389 0.995 . . . . 0.0 109.671 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.18 -32.02 73.31 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 122.385 -0.197 . . . . 0.0 111.33 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HB3' HG12 ' A' ' 31' ' ' VAL . 61.6 mt-30 -81.05 -24.17 38.02 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.697 -0.627 . . . . 0.0 110.724 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.69 31.44 20.87 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-O 121.147 0.499 . . . . 0.0 111.189 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 29' ' ' GLN . 12.6 p . . . . . 0 N--CA 1.507 2.424 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.772 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 121.357 0.598 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 31.6 m -133.52 -134.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -115.27 162.31 17.27 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.217 -0.927 . . . . 0.0 109.243 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -36.29 78.46 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.468 -0.77 . . . . 0.0 110.18 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -63.08 -51.6 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 11.1 tp60 -63.1 -32.36 73.72 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.25 -42.61 98.92 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.736 -0.602 . . . . 0.0 109.758 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.4 mtm -66.09 -40.67 90.97 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -63.11 -42.48 99.57 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 N--CA 1.512 2.647 0 O-C-N 122.064 -0.397 . . . . 0.0 110.275 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.95 21.8 11.11 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.757 -0.589 . . . . 0.0 110.96 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.51 39.9 1.9 Allowed Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.28 -36.7 0.07 Allowed 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 118.458 1.129 . . . . 0.0 112.769 179.327 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -50.31 -43.86 53.93 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -20.73 -73.32 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 125.812 1.645 . . . . 0.0 114.193 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -167.7 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 118.627 0.649 . . . . 0.0 110.818 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -167.45 -53.25 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.9 mmt -98.57 -15.55 19.46 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.4 mm-40 -65.15 -38.16 89.69 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.454 -0.779 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.829 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -33.58 76.14 Favored 'General case' 0 N--CA 1.518 2.946 0 O-C-N 121.588 -0.695 . . . . 0.0 110.229 177.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' CZ ' ' A' ' 25' ' ' ARG . 94.2 t -61.85 -55.72 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.531 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.1 pt-20 -67.23 -34.48 77.55 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 122.032 -0.418 . . . . 0.0 111.13 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -66.64 -37.84 85.65 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.54 -0.725 . . . . 0.0 111.602 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.3 mt -67.74 -13.11 61.84 Favored 'General case' 0 N--CA 1.51 2.545 0 CA-C-N 118.755 0.707 . . . . 0.0 111.99 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 1.9 ptt180 -115.02 -47.53 2.86 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.183 0.901 . . . . 0.0 111.951 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -15.79 60.91 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.7 24.82 Favored 'General case' 0 N--CA 1.511 2.599 0 CA-C-N 119.769 1.168 . . . . 0.0 111.878 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -60.39 -30.51 69.63 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.569 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.47 -46.49 19.58 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.68 -0.638 . . . . 0.0 109.701 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -141.23 134.77 29.93 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.516 2.83 0 O-C-N 121.786 -0.571 . . . . 0.0 111.732 -179.653 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.52 ' HB3' ' HG ' ' A' ' 7' ' ' LEU . 2.4 t . . . . . 0 N--CA 1.505 2.295 0 CA-C-O 119.527 -0.273 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.85 HG11 ' HG2' ' A' ' 6' ' ' GLN . 14.0 t -138.24 -93.45 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.514 0 CA-C-N 118.937 0.789 . . . . 0.0 111.884 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 43.2 m -121.63 178.93 4.63 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-N 119.866 1.212 . . . . 0.0 111.419 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.69 -21.0 37.92 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 121.232 -0.917 . . . . 0.0 111.59 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -111.08 -50.03 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.704 -0.622 . . . . 0.0 109.9 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.85 ' HG2' HG11 ' A' ' 2' ' ' VAL . 25.6 tp60 -61.59 -38.62 88.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.195 -0.316 . . . . 0.0 111.145 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 7' ' ' LEU . 4.8 tt -57.63 -40.23 78.76 Favored 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 118.604 0.638 . . . . 0.0 109.516 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.72 -40.21 87.26 Favored 'General case' 0 N--CA 1.518 2.948 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -68.32 -44.23 75.84 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -62.72 -42.25 99.56 Favored 'General case' 0 N--CA 1.513 2.706 0 O-C-N 121.988 -0.445 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.8 29.73 3.64 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 122.03 -0.418 . . . . 0.0 110.681 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.52 39.24 2.17 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.54 -37.73 0.09 Allowed 'General case' 0 N--CA 1.513 2.718 0 CA-C-N 117.991 0.896 . . . . 0.0 113.072 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -49.66 -45.25 48.36 Favored 'General case' 0 N--CA 1.527 3.423 0 O-C-N 121.28 -0.888 . . . . 0.0 113.261 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -18.8 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 125.863 1.665 . . . . 0.0 114.524 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -168.77 -71.85 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.697 0.68 . . . . 0.0 111.109 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.18 -55.98 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 ptp -91.61 -19.84 22.29 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.2 mm-40 -65.95 -40.54 91.41 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.706 -0.621 . . . . 0.0 111.017 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.819 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.54 -33.25 75.48 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 118.881 0.764 . . . . 0.0 110.267 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.84 -57.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -65.16 -40.0 93.74 Favored 'General case' 0 N--CA 1.512 2.627 0 CA-C-N 118.114 0.415 . . . . 0.0 111.079 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.62 -31.75 69.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.538 -0.726 . . . . 0.0 111.977 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.1 mt -82.02 11.89 4.7 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -49.02 0.7 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 121.113 -0.992 . . . . 0.0 110.527 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.44 -2.92 58.95 Favored 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -179.373 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -56.44 21.9 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 119.586 1.084 . . . . 0.0 110.524 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.46 -30.84 69.93 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.237 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -72.65 -41.71 65.16 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 121.683 -0.636 . . . . 0.0 109.365 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -48.66 78.97 Favored 'General case' 0 N--CA 1.508 2.447 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.515 2.804 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.191 179.776 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.504 2.263 0 CA-C-O 121.116 0.484 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.441 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 23.6 m -126.06 -132.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -113.38 166.37 11.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.88 -40.89 77.05 Favored 'General case' 0 N--CA 1.515 2.802 0 O-C-N 121.389 -0.819 . . . . 0.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.96 -53.22 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 O-C-N 122.108 -0.37 . . . . 0.0 110.07 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 21.6 tp60 -61.05 -31.83 71.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 122.4 -0.187 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.68 -40.41 96.99 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.591 -0.693 . . . . 0.0 109.667 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mtm -65.58 -40.98 93.36 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.7 -42.8 99.82 Favored 'General case' 0 N--CA 1.514 2.741 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.8 -40.73 95.72 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 mt -85.97 9.57 16.63 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 122.066 -0.396 . . . . 0.0 111.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.25 45.44 1.29 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.0 mtmm -146.91 -56.75 0.26 Allowed 'General case' 0 N--CA 1.512 2.631 0 CA-C-N 117.855 0.827 . . . . 0.0 112.224 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -44.31 -54.8 5.45 Favored 'General case' 0 N--CA 1.524 3.251 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -13.01 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 125.982 1.713 . . . . 0.0 114.782 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -169.04 -74.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.591 0.632 . . . . 0.0 111.181 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.45 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -93.17 -16.8 24.46 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 21.0 mt-10 -64.38 -46.62 82.56 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.524 -0.735 . . . . 0.0 110.223 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.779 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.72 -35.18 74.01 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 121.805 -0.56 . . . . 0.0 110.949 178.595 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.11 -54.58 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.9 pt-20 -71.2 -38.3 72.09 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.925 -0.484 . . . . 0.0 111.101 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 68.5 t90 -58.94 -36.0 74.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 111.94 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -9.97 57.66 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 118.858 0.754 . . . . 0.0 111.877 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.72 -49.57 2.72 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 119.36 0.982 . . . . 0.0 111.671 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.22 7.34 28.84 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.67 -53.89 41.02 Favored 'General case' 0 N--CA 1.508 2.438 0 CA-C-N 119.884 1.22 . . . . 0.0 110.791 178.39 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.84 -30.46 71.55 Favored 'General case' 0 N--CA 1.507 2.422 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.893 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -70.53 -46.95 62.61 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.752 -0.593 . . . . 0.0 109.415 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.7 -179.72 0.07 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.506 2.35 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.947 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.504 2.257 0 CA-C-O 121.123 0.487 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 30.2 m -127.95 -134.42 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m -114.42 163.15 15.73 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.92 . . . . 0.0 109.402 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.22 77.72 Favored 'General case' 0 N--CA 1.514 2.727 0 O-C-N 121.501 -0.749 . . . . 0.0 110.204 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.2 -49.86 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.64 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 17.4 tp60 -64.41 -32.43 74.04 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.02 -39.98 91.84 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.739 -0.6 . . . . 0.0 109.821 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 mtt -65.48 -42.07 92.6 Favored 'General case' 0 N--CA 1.516 2.839 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -63.23 -42.69 99.26 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -64.54 -35.29 80.47 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 122.075 -0.39 . . . . 0.0 110.346 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -96.68 21.29 9.59 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.851 -0.53 . . . . 0.0 111.205 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.1 38.42 2.24 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.163 -0.961 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.47 -36.26 0.07 Allowed 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 118.509 1.154 . . . . 0.0 112.7 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -49.48 -43.55 45.26 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.78 -73.64 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.277 0 C-N-CA 125.679 1.592 . . . . 0.0 114.071 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -168.84 -72.03 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.508 0 CA-C-N 118.721 0.691 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.94 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -17.01 24.0 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.3 mm-40 -64.59 -37.17 86.65 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.541 -0.724 . . . . 0.0 110.767 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.854 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -34.94 75.67 Favored 'General case' 0 N--CA 1.517 2.924 0 O-C-N 121.518 -0.739 . . . . 0.0 109.802 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -52.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.579 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.2 pt-20 -67.9 -45.31 74.81 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.501 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.562 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 72.6 t90 -55.72 -36.32 67.09 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 118.481 0.582 . . . . 0.0 112.533 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.97 -9.5 55.37 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 118.856 0.753 . . . . 0.0 112.039 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 N--CA 1.51 2.538 0 CA-C-N 119.321 0.964 . . . . 0.0 111.25 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -80.18 -2.18 43.64 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -56.43 -57.06 13.94 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.788 1.177 . . . . 0.0 110.315 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.01 -31.48 72.63 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.922 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -68.59 -41.31 79.79 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.848 -0.533 . . . . 0.0 110.489 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.19 -46.44 23.28 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.866 -0.521 . . . . 0.0 110.367 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.507 2.377 0 CA-C-O 117.568 -1.206 . . . . 0.0 110.595 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.504 2.268 0 CA-C-O 120.232 0.063 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.19 -104.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.424 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.677 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -128.65 173.57 10.17 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 120.323 1.42 . . . . 0.0 110.051 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.22 -25.47 65.65 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 121.445 -0.784 . . . . 0.0 110.57 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.09 -50.73 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.954 -0.466 . . . . 0.0 109.747 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.39 -34.17 72.1 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.491 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.49 -35.1 79.32 Favored 'General case' 0 N--CA 1.514 2.747 0 CA-C-N 119.036 0.835 . . . . 0.0 110.023 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.2 mtt -64.23 -41.79 96.85 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.61 -40.64 80.33 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.99 -46.27 88.54 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 122.029 -0.42 . . . . 0.0 110.039 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 24.55 7.39 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 122.038 -0.414 . . . . 0.0 110.584 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.8 41.96 1.3 Allowed Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -135.95 -41.4 0.67 Allowed 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 117.946 0.873 . . . . 0.0 111.58 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -42.63 -46.16 4.89 Favored 'General case' 0 N--CA 1.526 3.36 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.6 mp -17.89 -74.08 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.482 0 C-N-CA 125.556 1.542 . . . . 0.0 114.564 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -168.37 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 118.711 0.687 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.81 -55.31 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.62 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -94.96 -17.88 21.58 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 53.6 mm-40 -64.62 -38.95 92.75 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.807 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.89 -31.34 71.88 Favored 'General case' 0 N--CA 1.52 3.038 0 O-C-N 121.576 -0.703 . . . . 0.0 110.403 178.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.56 -53.26 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.611 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.1 pt-20 -68.71 -24.66 64.51 Favored 'General case' 0 N--CA 1.516 2.833 0 O-C-N 121.997 -0.439 . . . . 0.0 111.428 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -82.37 -30.96 29.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.422 -0.799 . . . . 0.0 112.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -85.57 37.61 0.7 Allowed 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.241 0.928 . . . . 0.0 110.896 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -155.76 -49.99 0.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.361 -0.837 . . . . 0.0 110.943 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB3' ' HD2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -86.01 -14.09 45.57 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.76 -0.587 . . . . 0.0 112.306 -179.463 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -54.29 43.17 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 119.279 0.945 . . . . 0.0 111.235 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.54 -29.89 71.09 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.309 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -73.62 -42.1 61.92 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 121.713 -0.617 . . . . 0.0 110.385 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.66 -55.54 4.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.821 -0.55 . . . . 0.0 110.002 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.504 2.258 0 CA-C-O 117.58 -1.2 . . . . 0.0 109.479 179.589 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.442 0.639 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.589 HG21 ' HG3' ' A' ' 6' ' ' GLN . 15.6 m -134.18 -128.07 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -107.16 155.94 19.35 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 119.676 1.125 . . . . 0.0 109.362 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tm-20 -52.39 -37.99 57.85 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 121.75 -0.593 . . . . 0.0 110.427 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.76 -51.49 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.427 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.589 ' HG3' HG21 ' A' ' 2' ' ' VAL . 24.3 tp60 -60.12 -35.15 74.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 122.432 -0.167 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 4' ' ' GLU . 22.7 mt -61.28 -45.27 95.18 Favored 'General case' 0 N--CA 1.515 2.817 0 O-C-N 121.6 -0.687 . . . . 0.0 109.264 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 mtt -60.95 -42.13 97.63 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.3 -41.88 99.0 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -62.31 -36.73 83.06 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 122.033 -0.417 . . . . 0.0 110.251 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tp -98.02 20.53 12.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.755 -0.59 . . . . 0.0 110.947 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.58 39.84 1.97 Allowed Glycine 0 N--CA 1.497 2.701 0 O-C-N 121.12 -0.988 . . . . 0.0 111.071 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.23 -36.9 0.07 Allowed 'General case' 0 N--CA 1.516 2.849 0 CA-C-N 118.559 1.18 . . . . 0.0 112.782 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -50.13 -43.86 52.03 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 121.489 -0.757 . . . . 0.0 113.036 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.19 -73.93 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.313 0 C-N-CA 125.798 1.639 . . . . 0.0 114.227 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -168.25 -72.04 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.492 0 CA-C-N 118.743 0.701 . . . . 0.0 111.052 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -167.23 -56.72 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 mmm -95.94 -15.43 22.37 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 55.3 mm-40 -65.26 -38.58 90.75 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.478 -0.764 . . . . 0.0 110.474 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.857 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.99 -33.88 76.82 Favored 'General case' 0 N--CA 1.518 2.951 0 O-C-N 121.629 -0.67 . . . . 0.0 110.133 177.617 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.63 -56.73 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -65.41 -36.69 84.7 Favored 'General case' 0 N--CA 1.514 2.741 0 CA-C-N 117.975 0.352 . . . . 0.0 111.161 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -64.84 -34.08 77.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.639 -0.663 . . . . 0.0 112.185 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.01 -5.45 46.4 Favored 'General case' 0 N--CA 1.509 2.509 0 CA-C-N 119.083 0.856 . . . . 0.0 112.028 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -42.63 2.05 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.234 -0.916 . . . . 0.0 111.249 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -18.55 58.56 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.466 -0.772 . . . . 0.0 112.303 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -59.64 -62.75 1.64 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 119.251 0.932 . . . . 0.0 110.643 179.017 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -58.47 -30.18 66.77 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -73.84 -42.04 61.42 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.653 -0.654 . . . . 0.0 110.35 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.7 155.39 0.07 Allowed 'General case' 0 N--CA 1.514 2.758 0 CA-C-O 121.714 0.769 . . . . 0.0 112.514 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.516 2.857 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.191 179.529 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 121.118 0.485 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.512 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 30.9 m -126.85 -134.97 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -111.56 162.32 15.26 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -39.35 80.61 Favored 'General case' 0 N--CA 1.515 2.824 0 O-C-N 121.453 -0.779 . . . . 0.0 110.189 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.81 -52.1 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.662 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.512 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 11.9 tp60 -62.84 -36.56 83.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.9 -39.4 89.16 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.918 -0.489 . . . . 0.0 109.871 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -42.7 94.55 Favored 'General case' 0 N--CA 1.513 2.713 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.9 -43.35 99.02 Favored 'General case' 0 N--CA 1.515 2.783 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -63.38 -36.74 84.72 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 39.27 1.09 Allowed 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.472 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.52 45.83 1.13 Allowed Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.67 -32.84 0.09 Allowed 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.172 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 15.3 p80 -50.13 -45.89 53.36 Favored 'General case' 0 N--CA 1.525 3.301 0 O-C-N 121.229 -0.919 . . . . 0.0 112.941 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.911 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -18.55 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 125.92 1.688 . . . . 0.0 114.084 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 17.6 t30 -169.68 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.719 0.69 . . . . 0.0 110.979 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t -165.61 -60.12 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -18.04 28.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 16' ' ' ASN . 17.0 mt-10 -61.32 -50.12 74.24 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.911 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.84 -32.03 71.44 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 118.416 0.553 . . . . 0.0 110.794 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.34 -56.31 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -68.37 -37.81 80.79 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 121.799 -0.563 . . . . 0.0 110.434 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 75.0 t90 -58.32 -35.49 71.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.771 -0.581 . . . . 0.0 111.458 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.85 -9.42 57.57 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.535 -0.728 . . . . 0.0 111.59 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.7 -51.55 2.85 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.226 -0.921 . . . . 0.0 110.549 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.74 5.6 39.15 Favored 'General case' 0 N--CA 1.514 2.733 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -54.32 -55.74 25.37 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.112 1.323 . . . . 0.0 110.664 178.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.06 -30.02 70.95 Favored 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.964 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.73 -35.95 70.32 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 121.786 -0.571 . . . . 0.0 110.389 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 66.5 137.31 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.566 0 C-N-CA 123.865 0.866 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 N--CA 1.506 2.345 0 CA-C-O 118.755 -0.64 . . . . 0.0 109.49 179.18 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.427 ' OG ' HD13 ' A' ' 7' ' ' LEU . 77.9 p . . . . . 0 N--CA 1.508 2.45 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' A' ' 7' ' ' LEU . 48.4 t -79.53 -70.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 6' ' ' GLN 0.254 27.1 t -115.73 -3.83 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.019 -0.426 . . . . 0.0 111.12 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 61.24 20.84 11.39 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.315 0.646 . . . . 0.0 110.093 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -153.2 -53.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -65.9 -50.13 65.58 Favored 'General case' 0 N--CA 1.506 2.362 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD13 ' OG ' ' A' ' 1' ' ' SER . 1.1 tt -62.59 -31.08 71.84 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.082 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 mmt -66.3 -42.61 88.07 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -67.07 -39.65 86.88 Favored 'General case' 0 N--CA 1.511 2.625 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -60.33 -43.9 95.99 Favored 'General case' 0 N--CA 1.513 2.719 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.23 16.52 11.34 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 121.984 -0.447 . . . . 0.0 110.827 177.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.26 44.95 1.24 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.3 mtmm -144.39 -53.0 0.32 Allowed 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 117.983 0.892 . . . . 0.0 112.206 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -41.81 -51.25 4.28 Favored 'General case' 0 N--CA 1.527 3.399 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -11.85 -76.23 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 126.287 1.835 . . . . 0.0 115.372 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -168.03 -72.4 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 118.805 0.73 . . . . 0.0 111.747 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.74 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -19.17 23.52 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.2 mm-40 -64.49 -44.06 92.2 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.543 -0.723 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.782 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -62.07 -33.13 73.84 Favored 'General case' 0 N--CA 1.522 3.172 0 O-C-N 121.558 -0.714 . . . . 0.0 110.701 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.71 -57.34 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.5 pt-20 -65.4 -38.89 91.31 Favored 'General case' 0 N--CA 1.513 2.675 0 CA-C-N 117.965 0.348 . . . . 0.0 111.408 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -59.54 -31.52 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 112.152 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.1 16.43 2.93 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.223 -0.923 . . . . 0.0 111.261 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.86 -49.08 0.47 Allowed 'General case' 0 N--CA 1.513 2.678 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.41 -2.84 58.82 Favored 'General case' 0 N--CA 1.515 2.811 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -56.04 26.16 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-N 119.591 1.087 . . . . 0.0 110.596 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pp -59.84 -30.52 69.02 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.149 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -73.37 -48.83 30.93 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.788 -0.57 . . . . 0.0 109.471 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.97 34.21 16.4 Favored 'General case' 0 N--CA 1.513 2.684 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.508 2.439 0 CA-C-O 117.617 -1.182 . . . . 0.0 109.857 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 20.9 m -129.36 -130.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -113.31 156.86 22.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 109.857 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.588 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.1 tm-20 -56.74 -36.25 69.53 Favored 'General case' 0 N--CA 1.515 2.815 0 O-C-N 121.74 -0.6 . . . . 0.0 110.12 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -65.96 -50.75 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.5 tp-100 -59.26 -39.21 82.15 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.463 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 4' ' ' GLU . 19.1 mt -63.1 -48.21 79.55 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 121.914 -0.491 . . . . 0.0 109.756 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -58.52 -45.37 88.97 Favored 'General case' 0 N--CA 1.518 2.939 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -60.77 -47.19 87.42 Favored 'General case' 0 N--CA 1.514 2.772 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -65.96 -31.12 71.86 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 122.077 -0.39 . . . . 0.0 111.074 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -99.33 23.82 8.8 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.673 -0.642 . . . . 0.0 111.394 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.45 37.02 2.34 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.284 -0.885 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.1 -35.72 0.08 Allowed 'General case' 0 N--CA 1.516 2.852 0 CA-C-N 118.514 1.157 . . . . 0.0 112.662 179.392 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.24 -43.26 42.57 Favored 'General case' 0 N--CA 1.521 3.118 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.908 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.7 mp -22.4 -74.4 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.222 0 C-N-CA 125.727 1.611 . . . . 0.0 114.027 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -169.11 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.562 0 CA-C-N 118.756 0.707 . . . . 0.0 110.855 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.19 -60.41 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -19.53 24.88 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 48.8 mm-40 -61.09 -39.97 91.96 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.602 -0.687 . . . . 0.0 110.575 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.908 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.0 -33.2 71.73 Favored 'General case' 0 N--CA 1.519 2.982 0 O-C-N 121.461 -0.775 . . . . 0.0 110.085 177.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.07 -47.71 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.644 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.8 pt-20 -75.65 -35.83 60.32 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 121.741 -0.6 . . . . 0.0 110.548 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -62.44 -31.89 72.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 0.0 112.449 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.52 -9.75 59.0 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.663 1.12 . . . . 0.0 111.77 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -114.16 -50.51 2.81 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.28 0.945 . . . . 0.0 112.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.31 -6.36 57.82 Favored 'General case' 0 N--CA 1.52 3.038 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.249 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -58.5 5.72 Favored 'General case' 0 N--CA 1.506 2.349 0 CA-C-N 119.72 1.145 . . . . 0.0 110.648 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.88 -31.55 64.96 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.488 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -77.15 -50.5 12.85 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.82 -174.65 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.506 2.338 0 O-C-N 121.587 -0.696 . . . . 0.0 109.648 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.417 ' HA ' ' HG ' ' A' ' 7' ' ' LEU . 18.6 m . . . . . 0 N--CA 1.504 2.262 0 CA-C-O 121.128 0.49 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.782 HG11 ' HG2' ' A' ' 6' ' ' GLN . 21.8 t -133.7 -90.52 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 121.555 -0.715 . . . . 0.0 111.058 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -121.62 -178.21 3.75 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.755 1.161 . . . . 0.0 111.176 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.63 -25.97 41.8 Favored 'General case' 0 N--CA 1.518 2.954 0 O-C-N 121.343 -0.848 . . . . 0.0 111.456 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.8 mm -108.11 -49.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 O-C-N 121.536 -0.728 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.782 ' HG2' HG11 ' A' ' 2' ' ' VAL . 5.6 tp-100 -62.03 -37.13 83.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.196 -0.315 . . . . 0.0 111.325 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 1' ' ' SER . 5.7 tt -60.44 -35.22 75.32 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 118.715 0.688 . . . . 0.0 110.005 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.0 -39.51 92.49 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -71.09 -46.2 62.28 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.13 -45.32 94.0 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 122.03 -0.419 . . . . 0.0 110.526 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.62 11.0 18.58 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 122.018 -0.426 . . . . 0.0 111.615 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.61 43.51 1.58 Allowed Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 15' ' ' LEU . 9.7 mtmm -146.09 -56.26 0.29 Allowed 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 118.094 0.947 . . . . 0.0 112.156 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -42.43 -51.65 4.89 Favored 'General case' 0 N--CA 1.523 3.197 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -15.27 -73.71 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 125.767 1.627 . . . . 0.0 114.63 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.41 -73.07 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 118.664 0.665 . . . . 0.0 111.251 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -166.87 -55.73 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.66 -16.59 21.93 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 54.9 mm-40 -64.9 -38.31 90.53 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.529 -0.732 . . . . 0.0 110.676 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.813 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.46 -32.52 73.94 Favored 'General case' 0 N--CA 1.519 3.014 0 O-C-N 121.5 -0.75 . . . . 0.0 110.185 177.715 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.41 -55.29 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.4 pt-20 -66.91 -29.98 70.0 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 122.138 -0.351 . . . . 0.0 111.357 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 66.5 t90 -73.1 -32.06 64.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.411 -0.806 . . . . 0.0 111.809 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.1 mt -82.27 13.04 3.76 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 118.996 0.816 . . . . 0.0 111.651 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 -48.7 0.56 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.202 -0.936 . . . . 0.0 110.909 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -21.56 60.39 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.71 -0.619 . . . . 0.0 111.842 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.0 mtpt -58.05 -61.63 2.41 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 119.311 0.959 . . . . 0.0 110.543 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.44 -24.11 67.25 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 122.232 -0.292 . . . . 0.0 111.68 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.29 -36.32 29.98 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.54 -0.725 . . . . 0.0 111.341 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.82 -54.73 3.74 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.635 -0.665 . . . . 0.0 110.581 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.518 2.948 0 C-N-CA 123.213 0.605 . . . . 0.0 110.776 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.501 2.101 0 CA-C-O 121.327 0.585 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 19.7 m -132.45 -130.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -113.28 165.16 12.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.089 -1.007 . . . . 0.0 109.981 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -33.38 75.06 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 121.751 -0.593 . . . . 0.0 110.002 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.1 mm -71.51 -49.76 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.8 tp-100 -61.0 -32.67 72.25 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.539 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.49 -40.44 94.58 Favored 'General case' 0 N--CA 1.508 2.465 0 O-C-N 121.785 -0.572 . . . . 0.0 110.034 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.27 -41.02 90.48 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -62.17 -47.12 85.91 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -67.83 -32.71 73.43 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 122.105 -0.372 . . . . 0.0 110.801 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 5.2 tp -97.99 21.99 9.93 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.691 -0.631 . . . . 0.0 111.386 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.88 38.78 2.17 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 121.112 -0.993 . . . . 0.0 111.325 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.29 -36.44 0.07 Allowed 'General case' 0 N--CA 1.516 2.861 0 CA-C-N 118.464 1.132 . . . . 0.0 112.679 179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 11' ' ' LEU . 16.1 p80 -50.05 -43.44 51.1 Favored 'General case' 0 N--CA 1.52 3.034 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -22.5 -73.38 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.244 0 C-N-CA 125.572 1.549 . . . . 0.0 113.921 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -169.61 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 118.712 0.687 . . . . 0.0 110.869 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -167.92 -57.09 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -14.63 26.81 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.2 mt-10 -65.16 -46.48 80.67 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.43 -0.794 . . . . 0.0 109.969 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.74 -31.88 72.08 Favored 'General case' 0 N--CA 1.519 3.008 0 O-C-N 121.705 -0.622 . . . . 0.0 110.575 178.111 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.36 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.3 pt-20 -70.68 -32.47 69.74 Favored 'General case' 0 N--CA 1.513 2.708 0 O-C-N 121.872 -0.518 . . . . 0.0 110.99 178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -66.14 -35.73 81.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.558 -0.714 . . . . 0.0 111.508 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.73 -12.09 61.34 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 118.745 0.702 . . . . 0.0 111.748 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -115.56 -48.15 2.79 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.24 -0.913 . . . . 0.0 112.06 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -17.39 62.19 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.07 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.668 1.122 . . . . 0.0 110.405 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.09 -25.28 67.62 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 122.084 -0.385 . . . . 0.0 111.598 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -81.14 -29.67 34.7 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.598 -0.688 . . . . 0.0 111.65 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -120.44 -66.8 1.03 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.599 -0.688 . . . . 0.0 110.538 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.508 2.456 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.093 179.732 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 121.324 0.583 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 29.2 m -133.39 -135.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -116.48 164.36 14.69 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -36.07 80.88 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 121.569 -0.707 . . . . 0.0 110.239 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.09 -49.27 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.712 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.0 tp-100 -63.99 -36.01 82.58 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.42 -39.49 83.66 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.962 -0.461 . . . . 0.0 110.483 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 mtm -63.03 -41.4 99.51 Favored 'General case' 0 N--CA 1.516 2.834 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -65.19 -36.9 85.62 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -59.69 -40.26 87.3 Favored 'General case' 0 N--CA 1.517 2.902 0 O-C-N 122.023 -0.423 . . . . 0.0 109.971 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.21 22.99 9.71 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.965 -0.459 . . . . 0.0 111.165 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.67 39.61 1.81 Allowed Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.1 -35.82 0.07 Allowed 'General case' 0 N--CA 1.516 2.828 0 CA-C-N 118.248 1.024 . . . . 0.0 112.555 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -48.45 -43.53 34.61 Favored 'General case' 0 N--CA 1.522 3.159 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.84 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.274 0 C-N-CA 125.517 1.527 . . . . 0.0 113.768 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -168.64 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.667 -0.646 . . . . 0.0 110.722 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.49 -56.29 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 ptp -90.22 -18.34 25.87 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.122 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -62.31 -50.79 70.25 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.566 -0.709 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.836 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.518 2.972 0 O-C-N 121.916 -0.49 . . . . 0.0 111.202 178.567 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.47 -50.88 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.605 0 CA-C-N 118.349 0.522 . . . . 0.0 109.756 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.62 -26.72 41.1 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.696 -0.628 . . . . 0.0 111.016 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 64.0 t90 -67.7 -36.11 80.03 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.604 -0.685 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.17 -13.55 62.24 Favored 'General case' 0 N--CA 1.512 2.625 0 CA-C-N 119.251 0.932 . . . . 0.0 111.834 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -114.59 -48.74 2.85 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 118.992 0.814 . . . . 0.0 112.092 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -17.27 63.65 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.536 -0.728 . . . . 0.0 112.593 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -68.77 -68.46 0.39 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 119.732 1.151 . . . . 0.0 110.386 178.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pp -56.47 -30.97 63.56 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 122.118 -0.364 . . . . 0.0 111.811 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.29 -38.06 31.49 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.7 -0.625 . . . . 0.0 110.275 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -136.94 95.74 3.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.854 -0.528 . . . . 0.0 109.826 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.524 3.245 0 C-N-CA 123.224 0.609 . . . . 0.0 111.364 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 110.782 -0.081 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 31.6 m -130.91 -136.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -115.31 162.9 16.46 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.21 -0.931 . . . . 0.0 108.934 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -37.93 74.3 Favored 'General case' 0 N--CA 1.516 2.848 0 O-C-N 121.318 -0.864 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.43 -54.44 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.645 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 4.2 tt0 -62.16 -33.13 73.92 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.5 -39.65 94.19 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.749 -0.595 . . . . 0.0 109.918 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -41.2 97.89 Favored 'General case' 0 N--CA 1.515 2.776 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 177.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -66.04 -44.66 83.98 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -63.72 -39.15 93.58 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 121.994 -0.441 . . . . 0.0 110.532 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -99.8 22.55 10.89 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.752 -0.592 . . . . 0.0 110.915 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.76 41.16 1.92 Allowed Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.215 -0.928 . . . . 0.0 111.346 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.51 -38.21 0.07 Allowed 'General case' 0 N--CA 1.515 2.797 0 CA-C-N 118.697 1.248 . . . . 0.0 113.071 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -53.43 -44.29 68.7 Favored 'General case' 0 N--CA 1.52 3.053 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.7 -74.27 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 125.772 1.629 . . . . 0.0 114.438 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -167.87 -73.29 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 118.69 0.677 . . . . 0.0 110.922 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -166.57 -54.96 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -14.46 23.57 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.6 mt-10 -64.52 -46.27 83.64 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.453 -0.779 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.17 -32.37 72.1 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.817 -0.552 . . . . 0.0 110.942 178.362 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.64 -51.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.536 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.5 pt-20 -76.32 -33.46 59.03 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.812 -0.555 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -65.7 -39.25 91.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.411 -0.806 . . . . 0.0 112.958 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -69.35 -11.67 61.01 Favored 'General case' 0 N--CA 1.513 2.698 0 CA-C-N 119.14 0.882 . . . . 0.0 112.602 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -45.34 2.39 Favored 'General case' 0 N--CA 1.512 2.665 0 CA-C-N 119.238 0.927 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -68.78 -17.41 64.02 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 112.229 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.3 mtpt -63.95 -65.5 0.67 Allowed 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 119.483 1.038 . . . . 0.0 110.058 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.43 -28.9 69.99 Favored 'General case' 0 N--CA 1.507 2.378 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.195 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.44 -30.57 53.4 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.635 -0.666 . . . . 0.0 111.304 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.37 105.3 8.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.63 -0.669 . . . . 0.0 109.696 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.507 2.419 0 CA-C-O 117.642 -1.171 . . . . 0.0 109.893 -179.709 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.504 2.252 0 CA-C-O 121.14 0.495 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 7.3 m -128.27 -122.29 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' HB2' ' HB3' ' A' ' 6' ' ' GLN . 70.0 m -115.73 165.38 13.12 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-N 120.22 1.373 . . . . 0.0 109.731 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.06 -26.86 64.98 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 121.677 -0.639 . . . . 0.0 110.59 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.7 mm -91.51 -50.23 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 121.982 -0.449 . . . . 0.0 110.031 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 4.5 tt0 -59.85 -37.82 80.36 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 122.381 -0.199 . . . . 0.0 111.038 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.2 -36.96 76.31 Favored 'General case' 0 N--CA 1.513 2.707 0 O-C-N 121.573 -0.704 . . . . 0.0 110.214 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.1 mtm -69.7 -39.39 76.94 Favored 'General case' 0 N--CA 1.513 2.683 0 O-C-N 121.834 -0.541 . . . . 0.0 109.631 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -39.81 82.08 Favored 'General case' 0 N--CA 1.509 2.51 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.296 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.59 -48.96 71.49 Favored 'General case' 0 N--CA 1.515 2.82 0 CA-C-N 118.409 0.55 . . . . 0.0 110.562 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.22 20.77 15.13 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.729 -0.607 . . . . 0.0 110.181 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.79 45.65 1.11 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.6 -37.72 0.09 Allowed 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 118.017 0.908 . . . . 0.0 112.137 179.235 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.59 -44.34 46.92 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -20.58 -72.63 0.02 OUTLIER 'General case' 0 N--CA 1.528 3.474 0 C-N-CA 125.6 1.56 . . . . 0.0 114.15 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -167.86 -72.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.44 0 CA-C-N 118.643 0.656 . . . . 0.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -168.37 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -13.43 25.17 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.42 -49.03 73.12 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.417 -0.802 . . . . 0.0 109.667 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.48 -30.72 67.21 Favored 'General case' 0 N--CA 1.517 2.884 0 O-C-N 122.047 -0.408 . . . . 0.0 111.18 178.106 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.46 -53.98 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.5 -28.9 56.6 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.813 -0.555 . . . . 0.0 111.45 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -68.38 -40.55 81.35 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.594 -0.691 . . . . 0.0 111.46 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -67.24 -11.8 58.42 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 118.673 0.67 . . . . 0.0 112.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -112.97 -48.86 2.96 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 119.384 0.993 . . . . 0.0 112.105 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -18.43 62.31 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -64.6 0.82 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.431 1.014 . . . . 0.0 110.498 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.52 -30.8 70.87 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.247 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.88 -39.2 64.1 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.764 -0.585 . . . . 0.0 110.334 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 64.25 157.35 0.08 Allowed 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 121.705 0.764 . . . . 0.0 112.532 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.511 2.602 0 O-C-N 121.624 -0.673 . . . . 0.0 111.162 179.476 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.504 2.245 0 CA-C-O 120.239 0.066 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG21 ' HG3' ' A' ' 6' ' ' GLN . 7.3 m -130.93 -124.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 6' ' ' GLN . 21.2 m -107.09 162.26 14.02 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 119.942 1.246 . . . . 0.0 109.378 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.12 -38.63 58.05 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 121.629 -0.669 . . . . 0.0 110.706 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.84 -53.3 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 122.084 -0.385 . . . . 0.0 110.101 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.567 ' HG3' HG21 ' A' ' 2' ' ' VAL . 4.3 tp-100 -58.75 -29.59 66.87 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.196 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 2' ' ' VAL . 12.6 mt -61.21 -46.85 88.74 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.8 mtm -60.5 -41.31 94.06 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -65.29 -42.77 92.78 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.29 -45.99 89.75 Favored 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.984 -0.448 . . . . 0.0 110.019 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.14 28.77 3.83 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 122.022 -0.423 . . . . 0.0 110.361 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.01 52.3 0.82 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 20.6 mtmm -146.89 -47.78 0.18 Allowed 'General case' 0 N--CA 1.513 2.725 0 CA-C-N 117.301 0.551 . . . . 0.0 111.497 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -39.98 -47.31 2.22 Favored 'General case' 0 N--CA 1.523 3.181 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -19.96 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 125.419 1.488 . . . . 0.0 114.119 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -168.75 -73.11 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.675 -0.641 . . . . 0.0 111.016 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -168.46 -55.55 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 mtt -94.54 -14.1 25.4 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.88 -49.73 69.33 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.37 -0.831 . . . . 0.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.99 -31.09 64.72 Favored 'General case' 0 N--CA 1.519 3.009 0 O-C-N 122.036 -0.415 . . . . 0.0 111.203 178.334 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.66 -54.61 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.487 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.01 -28.68 57.87 Favored 'General case' 0 N--CA 1.513 2.677 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.382 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -67.45 -38.15 84.07 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.573 -0.704 . . . . 0.0 111.668 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -70.57 -11.42 60.92 Favored 'General case' 0 N--CA 1.508 2.43 0 CA-C-N 118.7 0.682 . . . . 0.0 111.812 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -114.28 -48.37 2.89 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.181 0.9 . . . . 0.0 112.094 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.12 63.56 Favored 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.552 -0.718 . . . . 0.0 112.633 -178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 2.2 mtpt -59.05 -65.15 0.71 Allowed 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 119.658 1.117 . . . . 0.0 110.352 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.12 -29.25 67.24 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 122.3 -0.25 . . . . 0.0 111.499 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -73.31 -37.9 66.03 Favored 'General case' 0 N--CA 1.509 2.51 0 O-C-N 121.713 -0.617 . . . . 0.0 111.107 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.96 -50.29 8.17 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 121.675 -0.641 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.509 2.496 0 CA-C-O 117.503 -1.236 . . . . 0.0 111.166 179.641 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.4 ' HA ' HD11 ' A' ' 7' ' ' LEU . 96.0 p . . . . . 0 N--CA 1.504 2.236 0 CA-C-O 121.087 0.47 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.09 -61.01 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.47 0 O-C-N 121.796 -0.565 . . . . 0.0 110.13 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -115.4 -6.87 12.32 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.805 -0.559 . . . . 0.0 112.078 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.92 14.75 9.95 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 121.824 -0.547 . . . . 0.0 110.62 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.8 mt -128.51 -42.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.13 -45.62 87.04 Favored 'General case' 0 N--CA 1.513 2.693 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 1' ' ' SER . 1.2 mp -54.5 -39.1 67.23 Favored 'General case' 0 N--CA 1.514 2.771 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.5 mtt -69.8 -42.36 73.83 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -69.88 -43.37 71.96 Favored 'General case' 0 N--CA 1.512 2.671 0 O-C-N 122.039 -0.413 . . . . 0.0 110.62 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -64.6 -39.86 94.48 Favored 'General case' 0 N--CA 1.509 2.51 0 O-C-N 121.852 -0.53 . . . . 0.0 110.032 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -93.6 20.21 7.66 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.865 -0.522 . . . . 0.0 110.702 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.05 40.3 1.86 Allowed Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 11.6 mtmt -139.87 -50.91 0.5 Allowed 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 117.954 0.877 . . . . 0.0 112.068 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -41.6 -49.77 4.11 Favored 'General case' 0 N--CA 1.523 3.188 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.5 mp -10.69 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.331 0 C-N-CA 126.18 1.792 . . . . 0.0 115.619 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -167.07 -69.8 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 118.78 0.718 . . . . 0.0 111.734 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.67 -57.0 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtm -93.9 -18.33 22.07 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 56.0 mm-40 -65.82 -43.79 87.54 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.601 -0.687 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.786 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.85 -32.34 72.67 Favored 'General case' 0 N--CA 1.522 3.147 0 O-C-N 121.577 -0.702 . . . . 0.0 110.967 178.435 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.03 -55.0 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 9.9 pt-20 -67.14 -30.64 70.69 Favored 'General case' 0 N--CA 1.515 2.796 0 O-C-N 122.137 -0.352 . . . . 0.0 111.447 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 t90 -71.85 -32.26 67.33 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.486 -0.759 . . . . 0.0 112.021 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.5 11.91 4.18 Favored 'General case' 0 N--CA 1.511 2.61 0 CA-C-N 119.358 0.981 . . . . 0.0 111.629 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -50.18 0.53 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.221 -0.924 . . . . 0.0 110.804 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -17.57 62.47 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.674 -0.641 . . . . 0.0 111.785 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.4 mtpt -67.27 -64.71 0.8 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 119.286 0.948 . . . . 0.0 109.869 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.6 -31.67 70.83 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 122.371 -0.205 . . . . 0.0 111.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -77.62 -35.84 52.32 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 121.618 -0.676 . . . . 0.0 110.499 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -131.2 100.16 5.1 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.509 2.509 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.921 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.502 2.149 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 59.6 t -136.83 -94.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.38 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -136.08 -177.63 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.606 1.094 . . . . 0.0 111.163 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.31 21.33 2.47 Favored 'General case' 0 N--CA 1.51 2.561 0 O-C-N 121.562 -0.711 . . . . 0.0 110.694 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.85 -53.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -56.62 -52.56 64.4 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD11 ' H ' ' A' ' 2' ' ' VAL . 1.5 mp -58.52 -38.47 77.81 Favored 'General case' 0 N--CA 1.515 2.811 0 O-C-N 122.079 -0.388 . . . . 0.0 110.373 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.8 mmt -63.0 -42.97 99.99 Favored 'General case' 0 N--CA 1.517 2.904 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -63.8 -45.41 89.8 Favored 'General case' 0 N--CA 1.513 2.693 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -65.94 -42.96 89.34 Favored 'General case' 0 N--CA 1.513 2.698 0 O-C-N 122.027 -0.421 . . . . 0.0 110.732 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.97 12.4 13.4 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 121.869 -0.519 . . . . 0.0 111.622 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA3' ' CZ3' ' A' ' 23' ' ' TRP . . . -124.67 46.52 1.08 Allowed Glycine 0 N--CA 1.496 2.642 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 15' ' ' LEU . 25.8 mmmt -130.58 -39.22 1.29 Allowed 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 117.515 0.658 . . . . 0.0 111.993 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -42.11 -43.9 3.45 Favored 'General case' 0 N--CA 1.523 3.193 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.9 mp -19.02 -73.52 0.01 OUTLIER 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 125.429 1.492 . . . . 0.0 114.416 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -168.17 -74.75 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 118.621 0.646 . . . . 0.0 110.992 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.29 -56.04 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -92.83 -15.78 26.09 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.26 -51.54 65.73 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 121.468 -0.77 . . . . 0.0 110.019 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.778 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.43 -29.17 65.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 122.102 -0.374 . . . . 0.0 111.514 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.88 -46.19 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 121.806 -0.559 . . . . 0.0 109.54 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 pt-20 -85.29 -24.61 27.64 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' CZ3' ' HA3' ' A' ' 12' ' ' GLY . 48.8 t90 -75.36 -29.51 59.94 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 112.0 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.51 29.38 0.88 Allowed 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 119.321 0.964 . . . . 0.0 111.306 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -146.63 -51.67 0.22 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.259 -0.901 . . . . 0.0 111.089 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.1 -11.39 52.82 Favored 'General case' 0 N--CA 1.518 2.96 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.07 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -56.34 21.85 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 119.427 1.012 . . . . 0.0 110.59 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.17 -26.49 66.36 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.529 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -79.5 -49.06 12.84 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.65 -0.656 . . . . 0.0 109.908 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 37.77 -146.58 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.846 0.858 . . . . 0.0 112.907 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.509 2.492 0 CA-C-O 117.613 -1.184 . . . . 0.0 109.582 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.799 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.71 -36.24 0.07 Allowed 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 118.504 1.152 . . . . 0.0 112.841 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -50.39 -43.71 54.65 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -22.95 -73.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.271 0 C-N-CA 125.557 1.543 . . . . 0.0 113.967 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -169.31 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 118.767 0.712 . . . . 0.0 110.958 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -170.24 -56.84 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptp -90.27 -19.04 24.57 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.0 mt-10 -63.55 -44.52 93.9 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.643 -0.66 . . . . 0.0 110.509 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.838 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.02 -33.96 76.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.577 178.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.13 -49.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.703 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.7 pt-20 -77.28 -31.41 54.83 Favored 'General case' 0 N--CA 1.508 2.445 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.91 -36.1 82.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.53 -0.732 . . . . 0.0 112.192 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.43 -10.09 59.35 Favored 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.48 1.036 . . . . 0.0 112.055 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -44.07 2.58 Favored 'General case' 0 N--CA 1.515 2.776 0 O-C-N 121.261 -0.899 . . . . 0.0 111.356 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -15.78 58.49 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.51 2.558 0 CA-C-N 119.594 1.088 . . . . 0.0 111.431 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.776 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.96 -36.46 0.08 Allowed 'General case' 0 N--CA 1.516 2.845 0 CA-C-N 118.518 1.159 . . . . 0.0 112.737 179.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -49.7 -43.28 47.41 Favored 'General case' 0 N--CA 1.521 3.099 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.876 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -23.56 -74.72 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 125.585 1.554 . . . . 0.0 113.927 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -169.89 -75.54 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 118.86 0.755 . . . . 0.0 110.911 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.49 -61.7 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -18.59 30.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . 15.4 mt-10 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.519 -0.738 . . . . 0.0 110.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.876 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.79 -32.41 74.09 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 121.654 -0.654 . . . . 0.0 110.544 178.057 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.29 -47.53 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -79.63 -33.55 41.3 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.686 -0.634 . . . . 0.0 110.632 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.78 -33.7 74.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.291 -0.881 . . . . 0.0 112.016 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 pp -71.2 -12.18 61.33 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 119.337 0.971 . . . . 0.0 111.806 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -112.48 -50.57 2.89 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.202 0.91 . . . . 0.0 112.77 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -82.26 -3.02 54.38 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.368 0 CA-C-N 119.774 1.17 . . . . 0.0 110.621 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.803 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.97 17.27 0.5 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.3 p80 -104.07 -38.67 6.85 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.391 -0.818 . . . . 0.0 109.966 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.0 mp -17.88 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.156 0 C-N-CA 126.225 1.81 . . . . 0.0 114.306 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -164.66 -70.82 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.632 -0.667 . . . . 0.0 110.91 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 p -170.55 -53.61 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.3 mmt -98.07 -17.5 19.07 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.4 mm-40 -63.98 -36.08 82.81 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.531 -0.73 . . . . 0.0 110.598 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.1 -33.44 74.53 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.638 -0.664 . . . . 0.0 110.103 177.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.79 -51.76 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.612 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.8 pt-20 -72.38 -35.25 68.4 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.995 -0.441 . . . . 0.0 111.107 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.88 -29.19 69.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.004 -1.06 . . . . 0.0 111.981 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.78 13.52 4.72 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 119.198 0.908 . . . . 0.0 111.426 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -136.57 -52.32 0.7 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.139 -0.975 . . . . 0.0 111.302 179.047 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.61 -9.58 58.76 Favored 'General case' 0 N--CA 1.518 2.973 0 CA-C-N 119.541 1.064 . . . . 0.0 112.986 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 CA-C-N 119.389 0.995 . . . . 0.0 109.671 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.28 -36.7 0.07 Allowed 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 118.458 1.129 . . . . 0.0 112.769 179.327 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -50.31 -43.86 53.93 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -20.73 -73.32 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 125.812 1.645 . . . . 0.0 114.193 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -167.7 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 118.627 0.649 . . . . 0.0 110.818 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -167.45 -53.25 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.9 mmt -98.57 -15.55 19.46 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.4 mm-40 -65.15 -38.16 89.69 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.454 -0.779 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.829 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -33.58 76.14 Favored 'General case' 0 N--CA 1.518 2.946 0 O-C-N 121.588 -0.695 . . . . 0.0 110.229 177.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' CZ ' ' A' ' 25' ' ' ARG . 94.2 t -61.85 -55.72 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.531 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.1 pt-20 -67.23 -34.48 77.55 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 122.032 -0.418 . . . . 0.0 111.13 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -66.64 -37.84 85.65 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.54 -0.725 . . . . 0.0 111.602 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.3 mt -67.74 -13.11 61.84 Favored 'General case' 0 N--CA 1.51 2.545 0 CA-C-N 118.755 0.707 . . . . 0.0 111.99 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 1.9 ptt180 -115.02 -47.53 2.86 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.183 0.901 . . . . 0.0 111.951 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -15.79 60.91 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.599 0 CA-C-N 119.769 1.168 . . . . 0.0 111.878 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.629 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.54 -37.73 0.09 Allowed 'General case' 0 N--CA 1.513 2.718 0 CA-C-N 117.991 0.896 . . . . 0.0 113.072 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -49.66 -45.25 48.36 Favored 'General case' 0 N--CA 1.527 3.423 0 O-C-N 121.28 -0.888 . . . . 0.0 113.261 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -18.8 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 125.863 1.665 . . . . 0.0 114.524 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -168.77 -71.85 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.697 0.68 . . . . 0.0 111.109 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.18 -55.98 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 ptp -91.61 -19.84 22.29 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.2 mm-40 -65.95 -40.54 91.41 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.706 -0.621 . . . . 0.0 111.017 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.819 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.54 -33.25 75.48 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 118.881 0.764 . . . . 0.0 110.267 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.84 -57.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -65.16 -40.0 93.74 Favored 'General case' 0 N--CA 1.512 2.627 0 CA-C-N 118.114 0.415 . . . . 0.0 111.079 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.62 -31.75 69.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.538 -0.726 . . . . 0.0 111.977 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.1 mt -82.02 11.89 4.7 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -49.02 0.7 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 121.113 -0.992 . . . . 0.0 110.527 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.44 -2.92 58.95 Favored 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -179.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.426 0 CA-C-N 119.586 1.084 . . . . 0.0 110.524 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.0 mtmm -146.91 -56.75 0.26 Allowed 'General case' 0 N--CA 1.512 2.631 0 CA-C-N 117.855 0.827 . . . . 0.0 112.224 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -44.31 -54.8 5.45 Favored 'General case' 0 N--CA 1.524 3.251 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -13.01 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 125.982 1.713 . . . . 0.0 114.782 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -169.04 -74.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.591 0.632 . . . . 0.0 111.181 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.45 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -93.17 -16.8 24.46 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 21.0 mt-10 -64.38 -46.62 82.56 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.524 -0.735 . . . . 0.0 110.223 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.779 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.72 -35.18 74.01 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 121.805 -0.56 . . . . 0.0 110.949 178.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.11 -54.58 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.9 pt-20 -71.2 -38.3 72.09 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.925 -0.484 . . . . 0.0 111.101 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 68.5 t90 -58.94 -36.0 74.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 111.94 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -9.97 57.66 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 118.858 0.754 . . . . 0.0 111.877 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.72 -49.57 2.72 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 119.36 0.982 . . . . 0.0 111.671 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.22 7.34 28.84 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.438 0 CA-C-N 119.884 1.22 . . . . 0.0 110.791 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.869 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.47 -36.26 0.07 Allowed 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 118.509 1.154 . . . . 0.0 112.7 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -49.48 -43.55 45.26 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.78 -73.64 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.277 0 C-N-CA 125.679 1.592 . . . . 0.0 114.071 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -168.84 -72.03 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.508 0 CA-C-N 118.721 0.691 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.94 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -17.01 24.0 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.3 mm-40 -64.59 -37.17 86.65 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.541 -0.724 . . . . 0.0 110.767 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.854 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -34.94 75.67 Favored 'General case' 0 N--CA 1.517 2.924 0 O-C-N 121.518 -0.739 . . . . 0.0 109.802 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -52.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.579 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.2 pt-20 -67.9 -45.31 74.81 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.501 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.562 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 72.6 t90 -55.72 -36.32 67.09 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 118.481 0.582 . . . . 0.0 112.533 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.97 -9.5 55.37 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 118.856 0.753 . . . . 0.0 112.039 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 N--CA 1.51 2.538 0 CA-C-N 119.321 0.964 . . . . 0.0 111.25 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -80.18 -2.18 43.64 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.235 0 CA-C-N 119.788 1.177 . . . . 0.0 110.315 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.702 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -135.95 -41.4 0.67 Allowed 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 117.946 0.873 . . . . 0.0 111.58 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -42.63 -46.16 4.89 Favored 'General case' 0 N--CA 1.526 3.36 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.6 mp -17.89 -74.08 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.482 0 C-N-CA 125.556 1.542 . . . . 0.0 114.564 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -168.37 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 118.711 0.687 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.81 -55.31 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.62 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -94.96 -17.88 21.58 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 53.6 mm-40 -64.62 -38.95 92.75 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.807 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.89 -31.34 71.88 Favored 'General case' 0 N--CA 1.52 3.038 0 O-C-N 121.576 -0.703 . . . . 0.0 110.403 178.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.56 -53.26 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.611 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.1 pt-20 -68.71 -24.66 64.51 Favored 'General case' 0 N--CA 1.516 2.833 0 O-C-N 121.997 -0.439 . . . . 0.0 111.428 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -82.37 -30.96 29.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.422 -0.799 . . . . 0.0 112.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -85.57 37.61 0.7 Allowed 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.241 0.928 . . . . 0.0 110.896 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -155.76 -49.99 0.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.361 -0.837 . . . . 0.0 110.943 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB3' ' HD2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -86.01 -14.09 45.57 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.76 -0.587 . . . . 0.0 112.306 -179.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.307 0 CA-C-N 119.279 0.945 . . . . 0.0 111.235 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.701 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.23 -36.9 0.07 Allowed 'General case' 0 N--CA 1.516 2.849 0 CA-C-N 118.559 1.18 . . . . 0.0 112.782 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -50.13 -43.86 52.03 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 121.489 -0.757 . . . . 0.0 113.036 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.19 -73.93 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.313 0 C-N-CA 125.798 1.639 . . . . 0.0 114.227 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -168.25 -72.04 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.492 0 CA-C-N 118.743 0.701 . . . . 0.0 111.052 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -167.23 -56.72 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 mmm -95.94 -15.43 22.37 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 55.3 mm-40 -65.26 -38.58 90.75 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.478 -0.764 . . . . 0.0 110.474 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.857 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.99 -33.88 76.82 Favored 'General case' 0 N--CA 1.518 2.951 0 O-C-N 121.629 -0.67 . . . . 0.0 110.133 177.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.63 -56.73 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -65.41 -36.69 84.7 Favored 'General case' 0 N--CA 1.514 2.741 0 CA-C-N 117.975 0.352 . . . . 0.0 111.161 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -64.84 -34.08 77.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.639 -0.663 . . . . 0.0 112.185 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.01 -5.45 46.4 Favored 'General case' 0 N--CA 1.509 2.509 0 CA-C-N 119.083 0.856 . . . . 0.0 112.028 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -42.63 2.05 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.234 -0.916 . . . . 0.0 111.249 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -18.55 58.56 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.466 -0.772 . . . . 0.0 112.303 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 CA-C-N 119.251 0.932 . . . . 0.0 110.643 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.795 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.67 -32.84 0.09 Allowed 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 15.3 p80 -50.13 -45.89 53.36 Favored 'General case' 0 N--CA 1.525 3.301 0 O-C-N 121.229 -0.919 . . . . 0.0 112.941 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.911 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -18.55 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 125.92 1.688 . . . . 0.0 114.084 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 17.6 t30 -169.68 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.719 0.69 . . . . 0.0 110.979 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t -165.61 -60.12 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -18.04 28.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 16' ' ' ASN . 17.0 mt-10 -61.32 -50.12 74.24 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.911 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.84 -32.03 71.44 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 118.416 0.553 . . . . 0.0 110.794 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.34 -56.31 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -68.37 -37.81 80.79 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 121.799 -0.563 . . . . 0.0 110.434 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 75.0 t90 -58.32 -35.49 71.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.771 -0.581 . . . . 0.0 111.458 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.85 -9.42 57.57 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.535 -0.728 . . . . 0.0 111.59 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.7 -51.55 2.85 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.226 -0.921 . . . . 0.0 110.549 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.74 5.6 39.15 Favored 'General case' 0 N--CA 1.514 2.733 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.503 0 CA-C-N 120.112 1.323 . . . . 0.0 110.664 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.3 mtmm -144.39 -53.0 0.32 Allowed 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 117.983 0.892 . . . . 0.0 112.206 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -41.81 -51.25 4.28 Favored 'General case' 0 N--CA 1.527 3.399 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -11.85 -76.23 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 126.287 1.835 . . . . 0.0 115.372 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -168.03 -72.4 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 118.805 0.73 . . . . 0.0 111.747 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.74 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -19.17 23.52 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.2 mm-40 -64.49 -44.06 92.2 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.543 -0.723 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.782 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -62.07 -33.13 73.84 Favored 'General case' 0 N--CA 1.522 3.172 0 O-C-N 121.558 -0.714 . . . . 0.0 110.701 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.71 -57.34 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.5 pt-20 -65.4 -38.89 91.31 Favored 'General case' 0 N--CA 1.513 2.675 0 CA-C-N 117.965 0.348 . . . . 0.0 111.408 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -59.54 -31.52 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 112.152 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.1 16.43 2.93 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.223 -0.923 . . . . 0.0 111.261 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.86 -49.08 0.47 Allowed 'General case' 0 N--CA 1.513 2.678 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.41 -2.84 58.82 Favored 'General case' 0 N--CA 1.515 2.811 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.299 0 CA-C-N 119.591 1.087 . . . . 0.0 110.596 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.923 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.1 -35.72 0.08 Allowed 'General case' 0 N--CA 1.516 2.852 0 CA-C-N 118.514 1.157 . . . . 0.0 112.662 179.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.24 -43.26 42.57 Favored 'General case' 0 N--CA 1.521 3.118 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.908 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.7 mp -22.4 -74.4 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.222 0 C-N-CA 125.727 1.611 . . . . 0.0 114.027 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -169.11 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.562 0 CA-C-N 118.756 0.707 . . . . 0.0 110.855 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.19 -60.41 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -19.53 24.88 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 48.8 mm-40 -61.09 -39.97 91.96 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.602 -0.687 . . . . 0.0 110.575 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.908 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.0 -33.2 71.73 Favored 'General case' 0 N--CA 1.519 2.982 0 O-C-N 121.461 -0.775 . . . . 0.0 110.085 177.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.07 -47.71 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.644 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.8 pt-20 -75.65 -35.83 60.32 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 121.741 -0.6 . . . . 0.0 110.548 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -62.44 -31.89 72.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 0.0 112.449 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.52 -9.75 59.0 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.663 1.12 . . . . 0.0 111.77 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -114.16 -50.51 2.81 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.28 0.945 . . . . 0.0 112.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.31 -6.36 57.82 Favored 'General case' 0 N--CA 1.52 3.038 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.349 0 CA-C-N 119.72 1.145 . . . . 0.0 110.648 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 15' ' ' LEU . 9.7 mtmm -146.09 -56.26 0.29 Allowed 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 118.094 0.947 . . . . 0.0 112.156 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -42.43 -51.65 4.89 Favored 'General case' 0 N--CA 1.523 3.197 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -15.27 -73.71 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 125.767 1.627 . . . . 0.0 114.63 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.41 -73.07 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 118.664 0.665 . . . . 0.0 111.251 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -166.87 -55.73 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.66 -16.59 21.93 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 54.9 mm-40 -64.9 -38.31 90.53 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.529 -0.732 . . . . 0.0 110.676 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.813 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.46 -32.52 73.94 Favored 'General case' 0 N--CA 1.519 3.014 0 O-C-N 121.5 -0.75 . . . . 0.0 110.185 177.715 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.41 -55.29 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.4 pt-20 -66.91 -29.98 70.0 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 122.138 -0.351 . . . . 0.0 111.357 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 66.5 t90 -73.1 -32.06 64.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.411 -0.806 . . . . 0.0 111.809 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.1 mt -82.27 13.04 3.76 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 118.996 0.816 . . . . 0.0 111.651 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 -48.7 0.56 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.202 -0.936 . . . . 0.0 110.909 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -21.56 60.39 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.71 -0.619 . . . . 0.0 111.842 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.0 mtpt . . . . . 0 N--CA 1.507 2.417 0 CA-C-N 119.311 0.959 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.911 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.29 -36.44 0.07 Allowed 'General case' 0 N--CA 1.516 2.861 0 CA-C-N 118.464 1.132 . . . . 0.0 112.679 179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -50.05 -43.44 51.1 Favored 'General case' 0 N--CA 1.52 3.034 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -22.5 -73.38 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.244 0 C-N-CA 125.572 1.549 . . . . 0.0 113.921 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -169.61 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 118.712 0.687 . . . . 0.0 110.869 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -167.92 -57.09 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -14.63 26.81 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.2 mt-10 -65.16 -46.48 80.67 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.43 -0.794 . . . . 0.0 109.969 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.74 -31.88 72.08 Favored 'General case' 0 N--CA 1.519 3.008 0 O-C-N 121.705 -0.622 . . . . 0.0 110.575 178.111 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.36 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.3 pt-20 -70.68 -32.47 69.74 Favored 'General case' 0 N--CA 1.513 2.708 0 O-C-N 121.872 -0.518 . . . . 0.0 110.99 178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -66.14 -35.73 81.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.558 -0.714 . . . . 0.0 111.508 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.73 -12.09 61.34 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 118.745 0.702 . . . . 0.0 111.748 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -115.56 -48.15 2.79 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.24 -0.913 . . . . 0.0 112.06 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -17.39 62.19 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.343 0 CA-C-N 119.668 1.122 . . . . 0.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.828 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.1 -35.82 0.07 Allowed 'General case' 0 N--CA 1.516 2.828 0 CA-C-N 118.248 1.024 . . . . 0.0 112.555 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -48.45 -43.53 34.61 Favored 'General case' 0 N--CA 1.522 3.159 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.84 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.274 0 C-N-CA 125.517 1.527 . . . . 0.0 113.768 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -168.64 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.667 -0.646 . . . . 0.0 110.722 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.49 -56.29 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 ptp -90.22 -18.34 25.87 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.122 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -62.31 -50.79 70.25 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.566 -0.709 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.836 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.518 2.972 0 O-C-N 121.916 -0.49 . . . . 0.0 111.202 178.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.47 -50.88 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.605 0 CA-C-N 118.349 0.522 . . . . 0.0 109.756 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.62 -26.72 41.1 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.696 -0.628 . . . . 0.0 111.016 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 64.0 t90 -67.7 -36.11 80.03 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.604 -0.685 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.17 -13.55 62.24 Favored 'General case' 0 N--CA 1.512 2.625 0 CA-C-N 119.251 0.932 . . . . 0.0 111.834 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -114.59 -48.74 2.85 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 118.992 0.814 . . . . 0.0 112.092 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -17.27 63.65 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.536 -0.728 . . . . 0.0 112.593 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.217 0 CA-C-N 119.732 1.151 . . . . 0.0 110.386 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.549 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.51 -38.21 0.07 Allowed 'General case' 0 N--CA 1.515 2.797 0 CA-C-N 118.697 1.248 . . . . 0.0 113.071 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -53.43 -44.29 68.7 Favored 'General case' 0 N--CA 1.52 3.053 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.7 -74.27 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 125.772 1.629 . . . . 0.0 114.438 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -167.87 -73.29 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 118.69 0.677 . . . . 0.0 110.922 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -166.57 -54.96 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -14.46 23.57 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.6 mt-10 -64.52 -46.27 83.64 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.453 -0.779 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.17 -32.37 72.1 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.817 -0.552 . . . . 0.0 110.942 178.362 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.64 -51.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.536 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.5 pt-20 -76.32 -33.46 59.03 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.812 -0.555 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -65.7 -39.25 91.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.411 -0.806 . . . . 0.0 112.958 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -69.35 -11.67 61.01 Favored 'General case' 0 N--CA 1.513 2.698 0 CA-C-N 119.14 0.882 . . . . 0.0 112.602 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -45.34 2.39 Favored 'General case' 0 N--CA 1.512 2.665 0 CA-C-N 119.238 0.927 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -68.78 -17.41 64.02 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 112.229 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.3 mtpt . . . . . 0 N--CA 1.504 2.244 0 CA-C-N 119.483 1.038 . . . . 0.0 110.058 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.6 -37.72 0.09 Allowed 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 118.017 0.908 . . . . 0.0 112.137 179.235 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.59 -44.34 46.92 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -20.58 -72.63 0.02 OUTLIER 'General case' 0 N--CA 1.528 3.474 0 C-N-CA 125.6 1.56 . . . . 0.0 114.15 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -167.86 -72.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.44 0 CA-C-N 118.643 0.656 . . . . 0.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -168.37 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -13.43 25.17 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.42 -49.03 73.12 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.417 -0.802 . . . . 0.0 109.667 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.48 -30.72 67.21 Favored 'General case' 0 N--CA 1.517 2.884 0 O-C-N 122.047 -0.408 . . . . 0.0 111.18 178.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.46 -53.98 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.5 -28.9 56.6 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.813 -0.555 . . . . 0.0 111.45 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -68.38 -40.55 81.35 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.594 -0.691 . . . . 0.0 111.46 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -67.24 -11.8 58.42 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 118.673 0.67 . . . . 0.0 112.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -112.97 -48.86 2.96 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 119.384 0.993 . . . . 0.0 112.105 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -18.43 62.31 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.334 0 CA-C-N 119.431 1.014 . . . . 0.0 110.498 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 20.6 mtmm -146.89 -47.78 0.18 Allowed 'General case' 0 N--CA 1.513 2.725 0 CA-C-N 117.301 0.551 . . . . 0.0 111.497 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -39.98 -47.31 2.22 Favored 'General case' 0 N--CA 1.523 3.181 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -19.96 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 125.419 1.488 . . . . 0.0 114.119 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -168.75 -73.11 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.675 -0.641 . . . . 0.0 111.016 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -168.46 -55.55 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 mtt -94.54 -14.1 25.4 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.88 -49.73 69.33 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.37 -0.831 . . . . 0.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.99 -31.09 64.72 Favored 'General case' 0 N--CA 1.519 3.009 0 O-C-N 122.036 -0.415 . . . . 0.0 111.203 178.334 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.66 -54.61 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.487 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.01 -28.68 57.87 Favored 'General case' 0 N--CA 1.513 2.677 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.382 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -67.45 -38.15 84.07 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.573 -0.704 . . . . 0.0 111.668 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -70.57 -11.42 60.92 Favored 'General case' 0 N--CA 1.508 2.43 0 CA-C-N 118.7 0.682 . . . . 0.0 111.812 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -114.28 -48.37 2.89 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.181 0.9 . . . . 0.0 112.094 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.12 63.56 Favored 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.552 -0.718 . . . . 0.0 112.633 -178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 2.2 mtpt . . . . . 0 N--CA 1.506 2.368 0 CA-C-N 119.658 1.117 . . . . 0.0 110.352 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 11.6 mtmt -139.87 -50.91 0.5 Allowed 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 117.954 0.877 . . . . 0.0 112.068 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -41.6 -49.77 4.11 Favored 'General case' 0 N--CA 1.523 3.188 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.5 mp -10.69 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.331 0 C-N-CA 126.18 1.792 . . . . 0.0 115.619 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -167.07 -69.8 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 118.78 0.718 . . . . 0.0 111.734 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.67 -57.0 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtm -93.9 -18.33 22.07 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 56.0 mm-40 -65.82 -43.79 87.54 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.601 -0.687 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.786 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.85 -32.34 72.67 Favored 'General case' 0 N--CA 1.522 3.147 0 O-C-N 121.577 -0.702 . . . . 0.0 110.967 178.435 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.03 -55.0 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 9.9 pt-20 -67.14 -30.64 70.69 Favored 'General case' 0 N--CA 1.515 2.796 0 O-C-N 122.137 -0.352 . . . . 0.0 111.447 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 t90 -71.85 -32.26 67.33 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.486 -0.759 . . . . 0.0 112.021 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.5 11.91 4.18 Favored 'General case' 0 N--CA 1.511 2.61 0 CA-C-N 119.358 0.981 . . . . 0.0 111.629 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -50.18 0.53 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.221 -0.924 . . . . 0.0 110.804 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -17.57 62.47 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.674 -0.641 . . . . 0.0 111.785 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.4 mtpt . . . . . 0 N--CA 1.504 2.268 0 CA-C-N 119.286 0.948 . . . . 0.0 109.869 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA3' ' CZ3' ' A' ' 23' ' ' TRP . . . . . . . . 0 N--CA 1.496 2.642 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 15' ' ' LEU . 25.8 mmmt -130.58 -39.22 1.29 Allowed 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 117.515 0.658 . . . . 0.0 111.993 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -42.11 -43.9 3.45 Favored 'General case' 0 N--CA 1.523 3.193 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.9 mp -19.02 -73.52 0.01 OUTLIER 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 125.429 1.492 . . . . 0.0 114.416 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -168.17 -74.75 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 118.621 0.646 . . . . 0.0 110.992 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.29 -56.04 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -92.83 -15.78 26.09 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.26 -51.54 65.73 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 121.468 -0.77 . . . . 0.0 110.019 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.778 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.43 -29.17 65.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 122.102 -0.374 . . . . 0.0 111.514 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.88 -46.19 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 121.806 -0.559 . . . . 0.0 109.54 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 pt-20 -85.29 -24.61 27.64 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' CZ3' ' HA3' ' A' ' 12' ' ' GLY . 48.8 t90 -75.36 -29.51 59.94 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 112.0 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.51 29.38 0.88 Allowed 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 119.321 0.964 . . . . 0.0 111.306 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -146.63 -51.67 0.22 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.259 -0.901 . . . . 0.0 111.089 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.1 -11.39 52.82 Favored 'General case' 0 N--CA 1.518 2.96 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.07 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.311 0 CA-C-N 119.427 1.012 . . . . 0.0 110.59 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.503 2.177 0 CA-C-O 121.435 0.636 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.454 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 22.9 m -133.46 -134.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -108.89 161.94 14.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.135 -0.978 . . . . 0.0 108.566 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -40.18 76.07 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 121.251 -0.905 . . . . 0.0 110.219 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -65.19 -54.17 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.577 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.8 tp-100 -60.86 -35.61 77.04 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 122.443 -0.161 . . . . 0.0 110.676 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -40.57 97.52 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.71 -0.619 . . . . 0.0 110.012 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mmt -65.86 -41.5 91.57 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -62.71 -43.41 98.88 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -62.14 -38.03 87.43 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 122.126 -0.359 . . . . 0.0 110.572 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.85 20.93 11.27 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.812 -0.555 . . . . 0.0 111.186 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.7 39.42 1.98 Allowed Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.111 -0.993 . . . . 0.0 111.064 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.71 -36.24 0.07 Allowed 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 118.504 1.152 . . . . 0.0 112.841 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -50.39 -43.71 54.65 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -22.95 -73.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.271 0 C-N-CA 125.557 1.543 . . . . 0.0 113.967 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -169.31 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 118.767 0.712 . . . . 0.0 110.958 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -170.24 -56.84 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptp -90.27 -19.04 24.57 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.0 mt-10 -63.55 -44.52 93.9 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.643 -0.66 . . . . 0.0 110.509 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.838 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.02 -33.96 76.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.577 178.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.13 -49.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.703 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.7 pt-20 -77.28 -31.41 54.83 Favored 'General case' 0 N--CA 1.508 2.445 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.91 -36.1 82.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.53 -0.732 . . . . 0.0 112.192 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.43 -10.09 59.35 Favored 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.48 1.036 . . . . 0.0 112.055 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -44.07 2.58 Favored 'General case' 0 N--CA 1.515 2.776 0 O-C-N 121.261 -0.899 . . . . 0.0 111.356 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -15.78 58.49 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -57.97 10.22 Favored 'General case' 0 N--CA 1.51 2.558 0 CA-C-N 119.594 1.088 . . . . 0.0 111.431 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.89 -32.69 67.96 Favored 'General case' 0 N--CA 1.506 2.336 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.678 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -76.06 -45.95 31.6 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 121.608 -0.683 . . . . 0.0 109.491 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -136.72 102.73 4.99 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.517 2.893 0 CA-C-O 117.456 -1.259 . . . . 0.0 111.678 -179.03 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.504 2.259 0 CA-C-O 121.131 0.491 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 4.6 m -129.08 -120.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 6' ' ' GLN . 58.3 m -116.52 166.2 12.36 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 120.472 1.487 . . . . 0.0 110.1 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.7 -26.72 64.17 Favored 'General case' 0 N--CA 1.519 2.983 0 O-C-N 121.542 -0.724 . . . . 0.0 110.727 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.79 -52.3 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 7.2 tt0 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 122.238 0.215 . . . . 0.0 111.17 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.35 -34.79 77.36 Favored 'General case' 0 N--CA 1.513 2.702 0 O-C-N 121.624 -0.673 . . . . 0.0 110.535 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -67.94 -42.67 80.63 Favored 'General case' 0 N--CA 1.515 2.795 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -65.22 -45.29 85.29 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.76 -34.12 77.45 Favored 'General case' 0 N--CA 1.511 2.583 0 O-C-N 122.19 -0.319 . . . . 0.0 110.669 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 tp -98.32 22.35 9.77 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.748 -0.595 . . . . 0.0 111.089 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.44 37.35 2.46 Favored Glycine 0 N--CA 1.498 2.776 0 O-C-N 121.133 -0.98 . . . . 0.0 111.3 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.96 -36.46 0.08 Allowed 'General case' 0 N--CA 1.516 2.845 0 CA-C-N 118.518 1.159 . . . . 0.0 112.737 179.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -49.7 -43.28 47.41 Favored 'General case' 0 N--CA 1.521 3.099 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.876 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -23.56 -74.72 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 125.585 1.554 . . . . 0.0 113.927 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -169.89 -75.54 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 118.86 0.755 . . . . 0.0 110.911 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.49 -61.7 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -18.59 30.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . 15.4 mt-10 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.519 -0.738 . . . . 0.0 110.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.876 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.79 -32.41 74.09 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 121.654 -0.654 . . . . 0.0 110.544 178.057 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.29 -47.53 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -79.63 -33.55 41.3 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.686 -0.634 . . . . 0.0 110.632 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.78 -33.7 74.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.291 -0.881 . . . . 0.0 112.016 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 pp -71.2 -12.18 61.33 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 119.337 0.971 . . . . 0.0 111.806 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -112.48 -50.57 2.89 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.202 0.91 . . . . 0.0 112.77 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -82.26 -3.02 54.38 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -55.85 29.55 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 119.774 1.17 . . . . 0.0 110.621 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.73 -33.1 73.44 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.198 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -68.37 -39.45 81.77 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 121.744 -0.597 . . . . 0.0 109.668 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.77 150.01 36.24 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.51 2.564 0 O-C-N 121.864 -0.522 . . . . 0.0 111.124 179.29 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 121.311 0.577 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.504 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 15.4 m -133.95 -128.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -118.95 169.26 10.04 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.623 1.102 . . . . 0.0 109.725 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.8 -36.21 69.65 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 121.4 -0.813 . . . . 0.0 110.74 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.03 -54.76 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 O-C-N 121.89 -0.506 . . . . 0.0 109.923 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 12.1 tp60 -60.27 -37.92 81.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 122.054 -0.404 . . . . 0.0 111.009 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.62 -37.82 87.78 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.728 -0.608 . . . . 0.0 110.359 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -33.04 74.43 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -70.69 -41.29 72.19 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.721 -0.612 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -62.95 -45.04 94.31 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 122.068 -0.395 . . . . 0.0 110.17 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -104.09 37.44 2.07 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.87 37.69 1.91 Allowed Glycine 0 N--CA 1.498 2.803 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.97 17.27 0.5 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.3 p80 -104.07 -38.67 6.85 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.391 -0.818 . . . . 0.0 109.966 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.0 mp -17.88 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.156 0 C-N-CA 126.225 1.81 . . . . 0.0 114.306 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -164.66 -70.82 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.632 -0.667 . . . . 0.0 110.91 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 p -170.55 -53.61 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.3 mmt -98.07 -17.5 19.07 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.4 mm-40 -63.98 -36.08 82.81 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.531 -0.73 . . . . 0.0 110.598 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.1 -33.44 74.53 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.638 -0.664 . . . . 0.0 110.103 177.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.79 -51.76 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.612 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.8 pt-20 -72.38 -35.25 68.4 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.995 -0.441 . . . . 0.0 111.107 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.88 -29.19 69.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.004 -1.06 . . . . 0.0 111.981 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.78 13.52 4.72 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 119.198 0.908 . . . . 0.0 111.426 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -136.57 -52.32 0.7 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.139 -0.975 . . . . 0.0 111.302 179.047 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.61 -9.58 58.76 Favored 'General case' 0 N--CA 1.518 2.973 0 CA-C-N 119.541 1.064 . . . . 0.0 112.986 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -65.46 0.73 Allowed 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.389 0.995 . . . . 0.0 109.671 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.18 -32.02 73.31 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 122.385 -0.197 . . . . 0.0 111.33 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HB3' HG12 ' A' ' 31' ' ' VAL . 61.6 mt-30 -81.05 -24.17 38.02 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.697 -0.627 . . . . 0.0 110.724 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.69 31.44 20.87 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-O 121.147 0.499 . . . . 0.0 111.189 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 29' ' ' GLN . 12.6 p . . . . . 0 N--CA 1.507 2.424 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.772 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 121.357 0.598 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 31.6 m -133.52 -134.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -115.27 162.31 17.27 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.217 -0.927 . . . . 0.0 109.243 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -36.29 78.46 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.468 -0.77 . . . . 0.0 110.18 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -63.08 -51.6 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.3 tp-100 -63.1 -32.36 73.72 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.25 -42.61 98.92 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.736 -0.602 . . . . 0.0 109.758 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.4 mtm -66.09 -40.67 90.97 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -63.11 -42.48 99.57 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 N--CA 1.512 2.647 0 O-C-N 122.064 -0.397 . . . . 0.0 110.275 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.95 21.8 11.11 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.757 -0.589 . . . . 0.0 110.96 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.51 39.9 1.9 Allowed Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.28 -36.7 0.07 Allowed 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 118.458 1.129 . . . . 0.0 112.769 179.327 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -50.31 -43.86 53.93 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -20.73 -73.32 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 125.812 1.645 . . . . 0.0 114.193 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -167.7 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 118.627 0.649 . . . . 0.0 110.818 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -167.45 -53.25 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.9 mmt -98.57 -15.55 19.46 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.4 mm-40 -65.15 -38.16 89.69 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.454 -0.779 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.829 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -33.58 76.14 Favored 'General case' 0 N--CA 1.518 2.946 0 O-C-N 121.588 -0.695 . . . . 0.0 110.229 177.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' CZ ' ' A' ' 25' ' ' ARG . 94.2 t -61.85 -55.72 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.531 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.1 pt-20 -67.23 -34.48 77.55 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 122.032 -0.418 . . . . 0.0 111.13 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -66.64 -37.84 85.65 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.54 -0.725 . . . . 0.0 111.602 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.3 mt -67.74 -13.11 61.84 Favored 'General case' 0 N--CA 1.51 2.545 0 CA-C-N 118.755 0.707 . . . . 0.0 111.99 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 1.9 ptt180 -115.02 -47.53 2.86 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.183 0.901 . . . . 0.0 111.951 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -15.79 60.91 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -55.7 24.82 Favored 'General case' 0 N--CA 1.511 2.599 0 CA-C-N 119.769 1.168 . . . . 0.0 111.878 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -60.39 -30.51 69.63 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.569 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.47 -46.49 19.58 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.68 -0.638 . . . . 0.0 109.701 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -141.23 134.77 29.93 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.516 2.83 0 O-C-N 121.786 -0.571 . . . . 0.0 111.732 -179.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.52 ' HB3' ' HG ' ' A' ' 7' ' ' LEU . 2.4 t . . . . . 0 N--CA 1.505 2.295 0 CA-C-O 119.527 -0.273 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.85 HG11 ' HG2' ' A' ' 6' ' ' GLN . 14.0 t -138.24 -93.45 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.514 0 CA-C-N 118.937 0.789 . . . . 0.0 111.884 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 43.2 m -121.63 178.93 4.63 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-N 119.866 1.212 . . . . 0.0 111.419 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.69 -21.0 37.92 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 121.232 -0.917 . . . . 0.0 111.59 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -111.08 -50.03 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.704 -0.622 . . . . 0.0 109.9 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.85 ' HG2' HG11 ' A' ' 2' ' ' VAL . 25.6 tp60 -61.59 -38.62 88.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.195 -0.316 . . . . 0.0 111.145 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 7' ' ' LEU . 4.8 tt -57.63 -40.23 78.76 Favored 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 118.604 0.638 . . . . 0.0 109.516 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.72 -40.21 87.26 Favored 'General case' 0 N--CA 1.518 2.948 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -68.32 -44.23 75.84 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -62.72 -42.25 99.56 Favored 'General case' 0 N--CA 1.513 2.706 0 O-C-N 121.988 -0.445 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.8 29.73 3.64 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 122.03 -0.418 . . . . 0.0 110.681 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.52 39.24 2.17 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.54 -37.73 0.09 Allowed 'General case' 0 N--CA 1.513 2.718 0 CA-C-N 117.991 0.896 . . . . 0.0 113.072 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -49.66 -45.25 48.36 Favored 'General case' 0 N--CA 1.527 3.423 0 O-C-N 121.28 -0.888 . . . . 0.0 113.261 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -18.8 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 125.863 1.665 . . . . 0.0 114.524 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -168.77 -71.85 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.697 0.68 . . . . 0.0 111.109 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.18 -55.98 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 ptp -91.61 -19.84 22.29 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.2 mm-40 -65.95 -40.54 91.41 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.706 -0.621 . . . . 0.0 111.017 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.819 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.54 -33.25 75.48 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 118.881 0.764 . . . . 0.0 110.267 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.84 -57.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -65.16 -40.0 93.74 Favored 'General case' 0 N--CA 1.512 2.627 0 CA-C-N 118.114 0.415 . . . . 0.0 111.079 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.62 -31.75 69.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.538 -0.726 . . . . 0.0 111.977 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.1 mt -82.02 11.89 4.7 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -49.02 0.7 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 121.113 -0.992 . . . . 0.0 110.527 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.44 -2.92 58.95 Favored 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -179.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -56.44 21.9 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 119.586 1.084 . . . . 0.0 110.524 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.46 -30.84 69.93 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.237 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -72.65 -41.71 65.16 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 121.683 -0.636 . . . . 0.0 109.365 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -48.66 78.97 Favored 'General case' 0 N--CA 1.508 2.447 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.515 2.804 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.191 179.776 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.504 2.263 0 CA-C-O 121.116 0.484 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.441 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 23.6 m -126.06 -132.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -113.38 166.37 11.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.88 -40.89 77.05 Favored 'General case' 0 N--CA 1.515 2.802 0 O-C-N 121.389 -0.819 . . . . 0.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.96 -53.22 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 O-C-N 122.108 -0.37 . . . . 0.0 110.07 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 4.9 tp-100 -61.05 -31.83 71.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 122.4 -0.187 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.68 -40.41 96.99 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.591 -0.693 . . . . 0.0 109.667 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mtm -65.58 -40.98 93.36 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.7 -42.8 99.82 Favored 'General case' 0 N--CA 1.514 2.741 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -64.8 -40.73 95.72 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 mt -85.97 9.57 16.63 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 122.066 -0.396 . . . . 0.0 111.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.25 45.44 1.29 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.0 mtmm -146.91 -56.75 0.26 Allowed 'General case' 0 N--CA 1.512 2.631 0 CA-C-N 117.855 0.827 . . . . 0.0 112.224 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -44.31 -54.8 5.45 Favored 'General case' 0 N--CA 1.524 3.251 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -13.01 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 125.982 1.713 . . . . 0.0 114.782 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -169.04 -74.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.591 0.632 . . . . 0.0 111.181 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.45 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -93.17 -16.8 24.46 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 21.0 mt-10 -64.38 -46.62 82.56 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.524 -0.735 . . . . 0.0 110.223 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.779 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.72 -35.18 74.01 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 121.805 -0.56 . . . . 0.0 110.949 178.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.11 -54.58 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.9 pt-20 -71.2 -38.3 72.09 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.925 -0.484 . . . . 0.0 111.101 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 68.5 t90 -58.94 -36.0 74.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 111.94 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -9.97 57.66 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 118.858 0.754 . . . . 0.0 111.877 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.72 -49.57 2.72 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 119.36 0.982 . . . . 0.0 111.671 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.22 7.34 28.84 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.67 -53.89 41.02 Favored 'General case' 0 N--CA 1.508 2.438 0 CA-C-N 119.884 1.22 . . . . 0.0 110.791 178.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.84 -30.46 71.55 Favored 'General case' 0 N--CA 1.507 2.422 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.893 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -70.53 -46.95 62.61 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.752 -0.593 . . . . 0.0 109.415 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.7 -179.72 0.07 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.506 2.35 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.947 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.504 2.257 0 CA-C-O 121.123 0.487 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 30.2 m -127.95 -134.42 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m -114.42 163.15 15.73 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.92 . . . . 0.0 109.402 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.22 77.72 Favored 'General case' 0 N--CA 1.514 2.727 0 O-C-N 121.501 -0.749 . . . . 0.0 110.204 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.2 -49.86 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.64 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 17.4 tp60 -64.41 -32.43 74.04 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.02 -39.98 91.84 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.739 -0.6 . . . . 0.0 109.821 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 mtt -65.48 -42.07 92.6 Favored 'General case' 0 N--CA 1.516 2.839 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -63.23 -42.69 99.26 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -64.54 -35.29 80.47 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 122.075 -0.39 . . . . 0.0 110.346 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -96.68 21.29 9.59 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.851 -0.53 . . . . 0.0 111.205 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.1 38.42 2.24 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.163 -0.961 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.47 -36.26 0.07 Allowed 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 118.509 1.154 . . . . 0.0 112.7 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -49.48 -43.55 45.26 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.78 -73.64 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.277 0 C-N-CA 125.679 1.592 . . . . 0.0 114.071 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -168.84 -72.03 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.508 0 CA-C-N 118.721 0.691 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.94 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -17.01 24.0 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 52.3 mm-40 -64.59 -37.17 86.65 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.541 -0.724 . . . . 0.0 110.767 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.854 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -34.94 75.67 Favored 'General case' 0 N--CA 1.517 2.924 0 O-C-N 121.518 -0.739 . . . . 0.0 109.802 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -52.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.579 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.2 pt-20 -67.9 -45.31 74.81 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.501 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.562 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 72.6 t90 -55.72 -36.32 67.09 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 118.481 0.582 . . . . 0.0 112.533 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.97 -9.5 55.37 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 118.856 0.753 . . . . 0.0 112.039 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 N--CA 1.51 2.538 0 CA-C-N 119.321 0.964 . . . . 0.0 111.25 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -80.18 -2.18 43.64 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -56.43 -57.06 13.94 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.788 1.177 . . . . 0.0 110.315 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.01 -31.48 72.63 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.922 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -68.59 -41.31 79.79 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.848 -0.533 . . . . 0.0 110.489 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.19 -46.44 23.28 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.866 -0.521 . . . . 0.0 110.367 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.507 2.377 0 CA-C-O 117.568 -1.206 . . . . 0.0 110.595 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.504 2.268 0 CA-C-O 120.232 0.063 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.19 -104.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.424 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.677 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -128.65 173.57 10.17 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 120.323 1.42 . . . . 0.0 110.051 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.22 -25.47 65.65 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 121.445 -0.784 . . . . 0.0 110.57 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.09 -50.73 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.954 -0.466 . . . . 0.0 109.747 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.39 -34.17 72.1 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.491 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.49 -35.1 79.32 Favored 'General case' 0 N--CA 1.514 2.747 0 CA-C-N 119.036 0.835 . . . . 0.0 110.023 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.2 mtt -64.23 -41.79 96.85 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.61 -40.64 80.33 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.99 -46.27 88.54 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 122.029 -0.42 . . . . 0.0 110.039 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 24.55 7.39 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 122.038 -0.414 . . . . 0.0 110.584 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.8 41.96 1.3 Allowed Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -135.95 -41.4 0.67 Allowed 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 117.946 0.873 . . . . 0.0 111.58 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -42.63 -46.16 4.89 Favored 'General case' 0 N--CA 1.526 3.36 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.6 mp -17.89 -74.08 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.482 0 C-N-CA 125.556 1.542 . . . . 0.0 114.564 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -168.37 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 118.711 0.687 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.81 -55.31 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.62 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtm -94.96 -17.88 21.58 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 53.6 mm-40 -64.62 -38.95 92.75 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.807 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.89 -31.34 71.88 Favored 'General case' 0 N--CA 1.52 3.038 0 O-C-N 121.576 -0.703 . . . . 0.0 110.403 178.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.56 -53.26 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.611 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.1 pt-20 -68.71 -24.66 64.51 Favored 'General case' 0 N--CA 1.516 2.833 0 O-C-N 121.997 -0.439 . . . . 0.0 111.428 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -82.37 -30.96 29.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.422 -0.799 . . . . 0.0 112.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -85.57 37.61 0.7 Allowed 'General case' 0 N--CA 1.514 2.734 0 CA-C-N 119.241 0.928 . . . . 0.0 110.896 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -155.76 -49.99 0.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.361 -0.837 . . . . 0.0 110.943 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB3' ' HD2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -86.01 -14.09 45.57 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.76 -0.587 . . . . 0.0 112.306 -179.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -54.29 43.17 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 119.279 0.945 . . . . 0.0 111.235 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.54 -29.89 71.09 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.309 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -73.62 -42.1 61.92 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 121.713 -0.617 . . . . 0.0 110.385 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.66 -55.54 4.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.821 -0.55 . . . . 0.0 110.002 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.504 2.258 0 CA-C-O 117.58 -1.2 . . . . 0.0 109.479 179.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.442 0.639 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.589 HG21 ' HG3' ' A' ' 6' ' ' GLN . 15.6 m -134.18 -128.07 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -107.16 155.94 19.35 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 119.676 1.125 . . . . 0.0 109.362 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tm-20 -52.39 -37.99 57.85 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 121.75 -0.593 . . . . 0.0 110.427 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.76 -51.49 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.427 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.589 ' HG3' HG21 ' A' ' 2' ' ' VAL . 5.0 tp-100 -60.12 -35.15 74.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 122.432 -0.167 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 4' ' ' GLU . 22.7 mt -61.28 -45.27 95.18 Favored 'General case' 0 N--CA 1.515 2.817 0 O-C-N 121.6 -0.687 . . . . 0.0 109.264 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 mtt -60.95 -42.13 97.63 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.3 -41.88 99.0 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -62.31 -36.73 83.06 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 122.033 -0.417 . . . . 0.0 110.251 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tp -98.02 20.53 12.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.755 -0.59 . . . . 0.0 110.947 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.58 39.84 1.97 Allowed Glycine 0 N--CA 1.497 2.701 0 O-C-N 121.12 -0.988 . . . . 0.0 111.071 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.23 -36.9 0.07 Allowed 'General case' 0 N--CA 1.516 2.849 0 CA-C-N 118.559 1.18 . . . . 0.0 112.782 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -50.13 -43.86 52.03 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 121.489 -0.757 . . . . 0.0 113.036 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -21.19 -73.93 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.313 0 C-N-CA 125.798 1.639 . . . . 0.0 114.227 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -168.25 -72.04 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.492 0 CA-C-N 118.743 0.701 . . . . 0.0 111.052 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -167.23 -56.72 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 mmm -95.94 -15.43 22.37 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 55.3 mm-40 -65.26 -38.58 90.75 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.478 -0.764 . . . . 0.0 110.474 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.857 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.99 -33.88 76.82 Favored 'General case' 0 N--CA 1.518 2.951 0 O-C-N 121.629 -0.67 . . . . 0.0 110.133 177.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.63 -56.73 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.6 pt-20 -65.41 -36.69 84.7 Favored 'General case' 0 N--CA 1.514 2.741 0 CA-C-N 117.975 0.352 . . . . 0.0 111.161 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -64.84 -34.08 77.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.639 -0.663 . . . . 0.0 112.185 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.01 -5.45 46.4 Favored 'General case' 0 N--CA 1.509 2.509 0 CA-C-N 119.083 0.856 . . . . 0.0 112.028 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -42.63 2.05 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.234 -0.916 . . . . 0.0 111.249 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -18.55 58.56 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.466 -0.772 . . . . 0.0 112.303 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -59.64 -62.75 1.64 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 119.251 0.932 . . . . 0.0 110.643 179.017 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -58.47 -30.18 66.77 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -73.84 -42.04 61.42 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.653 -0.654 . . . . 0.0 110.35 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.7 155.39 0.07 Allowed 'General case' 0 N--CA 1.514 2.758 0 CA-C-O 121.714 0.769 . . . . 0.0 112.514 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.516 2.857 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.191 179.529 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 121.118 0.485 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.512 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 30.9 m -126.85 -134.97 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -111.56 162.32 15.26 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -39.35 80.61 Favored 'General case' 0 N--CA 1.515 2.824 0 O-C-N 121.453 -0.779 . . . . 0.0 110.189 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.81 -52.1 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.662 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.512 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 11.9 tp60 -62.84 -36.56 83.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.9 -39.4 89.16 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.918 -0.489 . . . . 0.0 109.871 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -42.7 94.55 Favored 'General case' 0 N--CA 1.513 2.713 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.9 -43.35 99.02 Favored 'General case' 0 N--CA 1.515 2.783 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -63.38 -36.74 84.72 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 39.27 1.09 Allowed 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.472 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.52 45.83 1.13 Allowed Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.67 -32.84 0.09 Allowed 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 15.3 p80 -50.13 -45.89 53.36 Favored 'General case' 0 N--CA 1.525 3.301 0 O-C-N 121.229 -0.919 . . . . 0.0 112.941 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.911 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -18.55 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 125.92 1.688 . . . . 0.0 114.084 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 17.6 t30 -169.68 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 118.719 0.69 . . . . 0.0 110.979 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t -165.61 -60.12 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -18.04 28.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 16' ' ' ASN . 17.0 mt-10 -61.32 -50.12 74.24 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.911 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.84 -32.03 71.44 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 118.416 0.553 . . . . 0.0 110.794 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.34 -56.31 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.5 pt-20 -68.37 -37.81 80.79 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 121.799 -0.563 . . . . 0.0 110.434 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 75.0 t90 -58.32 -35.49 71.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.771 -0.581 . . . . 0.0 111.458 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.85 -9.42 57.57 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.535 -0.728 . . . . 0.0 111.59 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.7 -51.55 2.85 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.226 -0.921 . . . . 0.0 110.549 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.74 5.6 39.15 Favored 'General case' 0 N--CA 1.514 2.733 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -54.32 -55.74 25.37 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.112 1.323 . . . . 0.0 110.664 178.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.06 -30.02 70.95 Favored 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.964 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.73 -35.95 70.32 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 121.786 -0.571 . . . . 0.0 110.389 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 66.5 137.31 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.566 0 C-N-CA 123.865 0.866 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 N--CA 1.506 2.345 0 CA-C-O 118.755 -0.64 . . . . 0.0 109.49 179.18 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.427 ' OG ' HD13 ' A' ' 7' ' ' LEU . 77.9 p . . . . . 0 N--CA 1.508 2.45 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' A' ' 7' ' ' LEU . 48.4 t -79.53 -70.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 6' ' ' GLN 0.254 27.1 t -115.73 -3.83 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.019 -0.426 . . . . 0.0 111.12 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 61.24 20.84 11.39 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.315 0.646 . . . . 0.0 110.093 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -153.2 -53.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -65.9 -50.13 65.58 Favored 'General case' 0 N--CA 1.506 2.362 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD13 ' OG ' ' A' ' 1' ' ' SER . 1.1 tt -62.59 -31.08 71.84 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.082 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 mmt -66.3 -42.61 88.07 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -67.07 -39.65 86.88 Favored 'General case' 0 N--CA 1.511 2.625 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -60.33 -43.9 95.99 Favored 'General case' 0 N--CA 1.513 2.719 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.23 16.52 11.34 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 121.984 -0.447 . . . . 0.0 110.827 177.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.26 44.95 1.24 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 17.3 mtmm -144.39 -53.0 0.32 Allowed 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 117.983 0.892 . . . . 0.0 112.206 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -41.81 -51.25 4.28 Favored 'General case' 0 N--CA 1.527 3.399 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.8 mp -11.85 -76.23 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 126.287 1.835 . . . . 0.0 115.372 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -168.03 -72.4 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 118.805 0.73 . . . . 0.0 111.747 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.74 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -19.17 23.52 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 49.2 mm-40 -64.49 -44.06 92.2 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.543 -0.723 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.782 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -62.07 -33.13 73.84 Favored 'General case' 0 N--CA 1.522 3.172 0 O-C-N 121.558 -0.714 . . . . 0.0 110.701 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.71 -57.34 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.5 pt-20 -65.4 -38.89 91.31 Favored 'General case' 0 N--CA 1.513 2.675 0 CA-C-N 117.965 0.348 . . . . 0.0 111.408 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -59.54 -31.52 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 112.152 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.1 16.43 2.93 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.223 -0.923 . . . . 0.0 111.261 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.86 -49.08 0.47 Allowed 'General case' 0 N--CA 1.513 2.678 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.41 -2.84 58.82 Favored 'General case' 0 N--CA 1.515 2.811 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -56.04 26.16 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-N 119.591 1.087 . . . . 0.0 110.596 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pp -59.84 -30.52 69.02 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.149 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -73.37 -48.83 30.93 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.788 -0.57 . . . . 0.0 109.471 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.97 34.21 16.4 Favored 'General case' 0 N--CA 1.513 2.684 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.508 2.439 0 CA-C-O 117.617 -1.182 . . . . 0.0 109.857 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 20.9 m -129.36 -130.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -113.31 156.86 22.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 109.857 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.588 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.1 tm-20 -56.74 -36.25 69.53 Favored 'General case' 0 N--CA 1.515 2.815 0 O-C-N 121.74 -0.6 . . . . 0.0 110.12 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -65.96 -50.75 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.5 tp-100 -59.26 -39.21 82.15 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.463 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 4' ' ' GLU . 19.1 mt -63.1 -48.21 79.55 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 121.914 -0.491 . . . . 0.0 109.756 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -58.52 -45.37 88.97 Favored 'General case' 0 N--CA 1.518 2.939 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -60.77 -47.19 87.42 Favored 'General case' 0 N--CA 1.514 2.772 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -65.96 -31.12 71.86 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 122.077 -0.39 . . . . 0.0 111.074 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -99.33 23.82 8.8 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.673 -0.642 . . . . 0.0 111.394 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.45 37.02 2.34 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.284 -0.885 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.1 -35.72 0.08 Allowed 'General case' 0 N--CA 1.516 2.852 0 CA-C-N 118.514 1.157 . . . . 0.0 112.662 179.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.24 -43.26 42.57 Favored 'General case' 0 N--CA 1.521 3.118 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.908 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.7 mp -22.4 -74.4 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.222 0 C-N-CA 125.727 1.611 . . . . 0.0 114.027 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -169.11 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.562 0 CA-C-N 118.756 0.707 . . . . 0.0 110.855 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.19 -60.41 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.583 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -19.53 24.88 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 48.8 mm-40 -61.09 -39.97 91.96 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.602 -0.687 . . . . 0.0 110.575 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.908 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.0 -33.2 71.73 Favored 'General case' 0 N--CA 1.519 2.982 0 O-C-N 121.461 -0.775 . . . . 0.0 110.085 177.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.07 -47.71 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.644 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.8 pt-20 -75.65 -35.83 60.32 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 121.741 -0.6 . . . . 0.0 110.548 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -62.44 -31.89 72.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 0.0 112.449 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.52 -9.75 59.0 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.663 1.12 . . . . 0.0 111.77 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -114.16 -50.51 2.81 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.28 0.945 . . . . 0.0 112.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.31 -6.36 57.82 Favored 'General case' 0 N--CA 1.52 3.038 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -58.5 5.72 Favored 'General case' 0 N--CA 1.506 2.349 0 CA-C-N 119.72 1.145 . . . . 0.0 110.648 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.88 -31.55 64.96 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.488 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -77.15 -50.5 12.85 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.82 -174.65 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.506 2.338 0 O-C-N 121.587 -0.696 . . . . 0.0 109.648 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.417 ' HA ' ' HG ' ' A' ' 7' ' ' LEU . 18.6 m . . . . . 0 N--CA 1.504 2.262 0 CA-C-O 121.128 0.49 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.782 HG11 ' HG2' ' A' ' 6' ' ' GLN . 21.8 t -133.7 -90.52 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 121.555 -0.715 . . . . 0.0 111.058 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -121.62 -178.21 3.75 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.755 1.161 . . . . 0.0 111.176 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.63 -25.97 41.8 Favored 'General case' 0 N--CA 1.518 2.954 0 O-C-N 121.343 -0.848 . . . . 0.0 111.456 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.8 mm -108.11 -49.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 O-C-N 121.536 -0.728 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.782 ' HG2' HG11 ' A' ' 2' ' ' VAL . 5.6 tp-100 -62.03 -37.13 83.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.196 -0.315 . . . . 0.0 111.325 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 1' ' ' SER . 5.7 tt -60.44 -35.22 75.32 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 118.715 0.688 . . . . 0.0 110.005 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.0 -39.51 92.49 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -71.09 -46.2 62.28 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.13 -45.32 94.0 Favored 'General case' 0 N--CA 1.515 2.795 0 O-C-N 122.03 -0.419 . . . . 0.0 110.526 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.62 11.0 18.58 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 122.018 -0.426 . . . . 0.0 111.615 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.61 43.51 1.58 Allowed Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 15' ' ' LEU . 9.7 mtmm -146.09 -56.26 0.29 Allowed 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 118.094 0.947 . . . . 0.0 112.156 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -42.43 -51.65 4.89 Favored 'General case' 0 N--CA 1.523 3.197 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -15.27 -73.71 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 125.767 1.627 . . . . 0.0 114.63 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.41 -73.07 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 118.664 0.665 . . . . 0.0 111.251 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -166.87 -55.73 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.66 -16.59 21.93 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 54.9 mm-40 -64.9 -38.31 90.53 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.529 -0.732 . . . . 0.0 110.676 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.813 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.46 -32.52 73.94 Favored 'General case' 0 N--CA 1.519 3.014 0 O-C-N 121.5 -0.75 . . . . 0.0 110.185 177.715 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.41 -55.29 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 7.4 pt-20 -66.91 -29.98 70.0 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 122.138 -0.351 . . . . 0.0 111.357 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 27' ' ' LYS . 66.5 t90 -73.1 -32.06 64.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.411 -0.806 . . . . 0.0 111.809 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.1 mt -82.27 13.04 3.76 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 118.996 0.816 . . . . 0.0 111.651 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 -48.7 0.56 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.202 -0.936 . . . . 0.0 110.909 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -21.56 60.39 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.71 -0.619 . . . . 0.0 111.842 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.0 mtpt -58.05 -61.63 2.41 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 119.311 0.959 . . . . 0.0 110.543 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.44 -24.11 67.25 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 122.232 -0.292 . . . . 0.0 111.68 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.29 -36.32 29.98 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.54 -0.725 . . . . 0.0 111.341 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.82 -54.73 3.74 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.635 -0.665 . . . . 0.0 110.581 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.518 2.948 0 C-N-CA 123.213 0.605 . . . . 0.0 110.776 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.501 2.101 0 CA-C-O 121.327 0.585 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 19.7 m -132.45 -130.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -113.28 165.16 12.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.089 -1.007 . . . . 0.0 109.981 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -33.38 75.06 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 121.751 -0.593 . . . . 0.0 110.002 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.1 mm -71.51 -49.76 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.8 tp-100 -61.0 -32.67 72.25 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.539 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.49 -40.44 94.58 Favored 'General case' 0 N--CA 1.508 2.465 0 O-C-N 121.785 -0.572 . . . . 0.0 110.034 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.27 -41.02 90.48 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -62.17 -47.12 85.91 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -67.83 -32.71 73.43 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 122.105 -0.372 . . . . 0.0 110.801 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 5.2 tp -97.99 21.99 9.93 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.691 -0.631 . . . . 0.0 111.386 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.88 38.78 2.17 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 121.112 -0.993 . . . . 0.0 111.325 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.29 -36.44 0.07 Allowed 'General case' 0 N--CA 1.516 2.861 0 CA-C-N 118.464 1.132 . . . . 0.0 112.679 179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 11' ' ' LEU . 16.1 p80 -50.05 -43.44 51.1 Favored 'General case' 0 N--CA 1.52 3.034 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -22.5 -73.38 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.244 0 C-N-CA 125.572 1.549 . . . . 0.0 113.921 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -169.61 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 118.712 0.687 . . . . 0.0 110.869 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -167.92 -57.09 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -14.63 26.81 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.2 mt-10 -65.16 -46.48 80.67 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.43 -0.794 . . . . 0.0 109.969 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.74 -31.88 72.08 Favored 'General case' 0 N--CA 1.519 3.008 0 O-C-N 121.705 -0.622 . . . . 0.0 110.575 178.111 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.36 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 8.3 pt-20 -70.68 -32.47 69.74 Favored 'General case' 0 N--CA 1.513 2.708 0 O-C-N 121.872 -0.518 . . . . 0.0 110.99 178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -66.14 -35.73 81.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.558 -0.714 . . . . 0.0 111.508 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.73 -12.09 61.34 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 118.745 0.702 . . . . 0.0 111.748 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -115.56 -48.15 2.79 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.24 -0.913 . . . . 0.0 112.06 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -17.39 62.19 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.07 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.668 1.122 . . . . 0.0 110.405 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.09 -25.28 67.62 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 122.084 -0.385 . . . . 0.0 111.598 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -81.14 -29.67 34.7 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.598 -0.688 . . . . 0.0 111.65 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -120.44 -66.8 1.03 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.599 -0.688 . . . . 0.0 110.538 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.508 2.456 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.093 179.732 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 121.324 0.583 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 29.2 m -133.39 -135.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -116.48 164.36 14.69 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -36.07 80.88 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 121.569 -0.707 . . . . 0.0 110.239 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.09 -49.27 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.712 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.0 tp-100 -63.99 -36.01 82.58 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.42 -39.49 83.66 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.962 -0.461 . . . . 0.0 110.483 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 mtm -63.03 -41.4 99.51 Favored 'General case' 0 N--CA 1.516 2.834 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -65.19 -36.9 85.62 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -59.69 -40.26 87.3 Favored 'General case' 0 N--CA 1.517 2.902 0 O-C-N 122.023 -0.423 . . . . 0.0 109.971 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.21 22.99 9.71 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.965 -0.459 . . . . 0.0 111.165 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.67 39.61 1.81 Allowed Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.1 -35.82 0.07 Allowed 'General case' 0 N--CA 1.516 2.828 0 CA-C-N 118.248 1.024 . . . . 0.0 112.555 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -48.45 -43.53 34.61 Favored 'General case' 0 N--CA 1.522 3.159 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.84 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.274 0 C-N-CA 125.517 1.527 . . . . 0.0 113.768 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -168.64 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.667 -0.646 . . . . 0.0 110.722 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.49 -56.29 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 ptp -90.22 -18.34 25.87 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.122 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -62.31 -50.79 70.25 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.566 -0.709 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.836 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.518 2.972 0 O-C-N 121.916 -0.49 . . . . 0.0 111.202 178.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.47 -50.88 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.605 0 CA-C-N 118.349 0.522 . . . . 0.0 109.756 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.62 -26.72 41.1 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.696 -0.628 . . . . 0.0 111.016 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 64.0 t90 -67.7 -36.11 80.03 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.604 -0.685 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.17 -13.55 62.24 Favored 'General case' 0 N--CA 1.512 2.625 0 CA-C-N 119.251 0.932 . . . . 0.0 111.834 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -114.59 -48.74 2.85 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 118.992 0.814 . . . . 0.0 112.092 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -17.27 63.65 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.536 -0.728 . . . . 0.0 112.593 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -68.77 -68.46 0.39 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 119.732 1.151 . . . . 0.0 110.386 178.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pp -56.47 -30.97 63.56 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 122.118 -0.364 . . . . 0.0 111.811 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.29 -38.06 31.49 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.7 -0.625 . . . . 0.0 110.275 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -136.94 95.74 3.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.854 -0.528 . . . . 0.0 109.826 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.524 3.245 0 C-N-CA 123.224 0.609 . . . . 0.0 111.364 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 110.782 -0.081 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 31.6 m -130.91 -136.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -115.31 162.9 16.46 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.21 -0.931 . . . . 0.0 108.934 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -37.93 74.3 Favored 'General case' 0 N--CA 1.516 2.848 0 O-C-N 121.318 -0.864 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.43 -54.44 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.645 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 3.2 tt0 -62.16 -33.13 73.92 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.5 -39.65 94.19 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.749 -0.595 . . . . 0.0 109.918 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -41.2 97.89 Favored 'General case' 0 N--CA 1.515 2.776 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 177.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -66.04 -44.66 83.98 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -63.72 -39.15 93.58 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 121.994 -0.441 . . . . 0.0 110.532 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -99.8 22.55 10.89 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.752 -0.592 . . . . 0.0 110.915 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.76 41.16 1.92 Allowed Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.215 -0.928 . . . . 0.0 111.346 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.51 -38.21 0.07 Allowed 'General case' 0 N--CA 1.515 2.797 0 CA-C-N 118.697 1.248 . . . . 0.0 113.071 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -53.43 -44.29 68.7 Favored 'General case' 0 N--CA 1.52 3.053 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.5 mp -21.7 -74.27 0.02 OUTLIER 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 125.772 1.629 . . . . 0.0 114.438 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -167.87 -73.29 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 118.69 0.677 . . . . 0.0 110.922 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -166.57 -54.96 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -14.46 23.57 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.6 mt-10 -64.52 -46.27 83.64 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.453 -0.779 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.805 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.17 -32.37 72.1 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 121.817 -0.552 . . . . 0.0 110.942 178.362 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.64 -51.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.536 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 6.5 pt-20 -76.32 -33.46 59.03 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.812 -0.555 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -65.7 -39.25 91.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.411 -0.806 . . . . 0.0 112.958 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -69.35 -11.67 61.01 Favored 'General case' 0 N--CA 1.513 2.698 0 CA-C-N 119.14 0.882 . . . . 0.0 112.602 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -45.34 2.39 Favored 'General case' 0 N--CA 1.512 2.665 0 CA-C-N 119.238 0.927 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' CD ' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -68.78 -17.41 64.02 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 112.229 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 3.3 mtpt -63.95 -65.5 0.67 Allowed 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 119.483 1.038 . . . . 0.0 110.058 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.43 -28.9 69.99 Favored 'General case' 0 N--CA 1.507 2.378 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.195 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.44 -30.57 53.4 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.635 -0.666 . . . . 0.0 111.304 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.37 105.3 8.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.63 -0.669 . . . . 0.0 109.696 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.507 2.419 0 CA-C-O 117.642 -1.171 . . . . 0.0 109.893 -179.709 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.504 2.252 0 CA-C-O 121.14 0.495 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 7.3 m -128.27 -122.29 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' HB2' ' HB3' ' A' ' 6' ' ' GLN . 70.0 m -115.73 165.38 13.12 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-N 120.22 1.373 . . . . 0.0 109.731 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.06 -26.86 64.98 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 121.677 -0.639 . . . . 0.0 110.59 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.7 mm -91.51 -50.23 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 121.982 -0.449 . . . . 0.0 110.031 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 4.5 tt0 -59.85 -37.82 80.36 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 122.381 -0.199 . . . . 0.0 111.038 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.2 -36.96 76.31 Favored 'General case' 0 N--CA 1.513 2.707 0 O-C-N 121.573 -0.704 . . . . 0.0 110.214 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.1 mtm -69.7 -39.39 76.94 Favored 'General case' 0 N--CA 1.513 2.683 0 O-C-N 121.834 -0.541 . . . . 0.0 109.631 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -39.81 82.08 Favored 'General case' 0 N--CA 1.509 2.51 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.296 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.59 -48.96 71.49 Favored 'General case' 0 N--CA 1.515 2.82 0 CA-C-N 118.409 0.55 . . . . 0.0 110.562 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.22 20.77 15.13 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.729 -0.607 . . . . 0.0 110.181 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.79 45.65 1.11 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.6 -37.72 0.09 Allowed 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 118.017 0.908 . . . . 0.0 112.137 179.235 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -49.59 -44.34 46.92 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.3 mp -20.58 -72.63 0.02 OUTLIER 'General case' 0 N--CA 1.528 3.474 0 C-N-CA 125.6 1.56 . . . . 0.0 114.15 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -167.86 -72.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.44 0 CA-C-N 118.643 0.656 . . . . 0.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -168.37 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -13.43 25.17 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.42 -49.03 73.12 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.417 -0.802 . . . . 0.0 109.667 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.48 -30.72 67.21 Favored 'General case' 0 N--CA 1.517 2.884 0 O-C-N 122.047 -0.408 . . . . 0.0 111.18 178.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.46 -53.98 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.451 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.5 -28.9 56.6 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.813 -0.555 . . . . 0.0 111.45 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -68.38 -40.55 81.35 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.594 -0.691 . . . . 0.0 111.46 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -67.24 -11.8 58.42 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 118.673 0.67 . . . . 0.0 112.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -112.97 -48.86 2.96 Favored 'General case' 0 N--CA 1.509 2.475 0 CA-C-N 119.384 0.993 . . . . 0.0 112.105 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -18.43 62.31 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -64.6 0.82 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.431 1.014 . . . . 0.0 110.498 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.52 -30.8 70.87 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.247 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.88 -39.2 64.1 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.764 -0.585 . . . . 0.0 110.334 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 64.25 157.35 0.08 Allowed 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 121.705 0.764 . . . . 0.0 112.532 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.511 2.602 0 O-C-N 121.624 -0.673 . . . . 0.0 111.162 179.476 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.504 2.245 0 CA-C-O 120.239 0.066 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG21 ' HG3' ' A' ' 6' ' ' GLN . 7.3 m -130.93 -124.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 6' ' ' GLN . 21.2 m -107.09 162.26 14.02 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 119.942 1.246 . . . . 0.0 109.378 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.12 -38.63 58.05 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 121.629 -0.669 . . . . 0.0 110.706 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.84 -53.3 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 122.084 -0.385 . . . . 0.0 110.101 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.567 ' HG3' HG21 ' A' ' 2' ' ' VAL . 4.3 tp-100 -58.75 -29.59 66.87 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.196 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 2' ' ' VAL . 12.6 mt -61.21 -46.85 88.74 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.8 mtm -60.5 -41.31 94.06 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -65.29 -42.77 92.78 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.29 -45.99 89.75 Favored 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.984 -0.448 . . . . 0.0 110.019 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.14 28.77 3.83 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 122.022 -0.423 . . . . 0.0 110.361 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.01 52.3 0.82 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 20.6 mtmm -146.89 -47.78 0.18 Allowed 'General case' 0 N--CA 1.513 2.725 0 CA-C-N 117.301 0.551 . . . . 0.0 111.497 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -39.98 -47.31 2.22 Favored 'General case' 0 N--CA 1.523 3.181 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.2 mp -19.96 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 125.419 1.488 . . . . 0.0 114.119 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -168.75 -73.11 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.675 -0.641 . . . . 0.0 111.016 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -168.46 -55.55 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 mtt -94.54 -14.1 25.4 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.88 -49.73 69.33 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.37 -0.831 . . . . 0.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.99 -31.09 64.72 Favored 'General case' 0 N--CA 1.519 3.009 0 O-C-N 122.036 -0.415 . . . . 0.0 111.203 178.334 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.66 -54.61 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.487 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.01 -28.68 57.87 Favored 'General case' 0 N--CA 1.513 2.677 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.382 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -67.45 -38.15 84.07 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.573 -0.704 . . . . 0.0 111.668 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -70.57 -11.42 60.92 Favored 'General case' 0 N--CA 1.508 2.43 0 CA-C-N 118.7 0.682 . . . . 0.0 111.812 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -114.28 -48.37 2.89 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.181 0.9 . . . . 0.0 112.094 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.12 63.56 Favored 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.552 -0.718 . . . . 0.0 112.633 -178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 2.2 mtpt -59.05 -65.15 0.71 Allowed 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 119.658 1.117 . . . . 0.0 110.352 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.12 -29.25 67.24 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 122.3 -0.25 . . . . 0.0 111.499 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -73.31 -37.9 66.03 Favored 'General case' 0 N--CA 1.509 2.51 0 O-C-N 121.713 -0.617 . . . . 0.0 111.107 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.96 -50.29 8.17 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 121.675 -0.641 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.509 2.496 0 CA-C-O 117.503 -1.236 . . . . 0.0 111.166 179.641 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.4 ' HA ' HD11 ' A' ' 7' ' ' LEU . 96.0 p . . . . . 0 N--CA 1.504 2.236 0 CA-C-O 121.087 0.47 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.09 -61.01 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.47 0 O-C-N 121.796 -0.565 . . . . 0.0 110.13 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -115.4 -6.87 12.32 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.805 -0.559 . . . . 0.0 112.078 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.92 14.75 9.95 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 121.824 -0.547 . . . . 0.0 110.62 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.8 mt -128.51 -42.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.13 -45.62 87.04 Favored 'General case' 0 N--CA 1.513 2.693 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 1' ' ' SER . 1.2 mp -54.5 -39.1 67.23 Favored 'General case' 0 N--CA 1.514 2.771 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.5 mtt -69.8 -42.36 73.83 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -69.88 -43.37 71.96 Favored 'General case' 0 N--CA 1.512 2.671 0 O-C-N 122.039 -0.413 . . . . 0.0 110.62 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -64.6 -39.86 94.48 Favored 'General case' 0 N--CA 1.509 2.51 0 O-C-N 121.852 -0.53 . . . . 0.0 110.032 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -93.6 20.21 7.66 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.865 -0.522 . . . . 0.0 110.702 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.05 40.3 1.86 Allowed Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' C ' HD12 ' A' ' 15' ' ' LEU . 11.6 mtmt -139.87 -50.91 0.5 Allowed 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 117.954 0.877 . . . . 0.0 112.068 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -41.6 -49.77 4.11 Favored 'General case' 0 N--CA 1.523 3.188 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD13 ' HB3' ' A' ' 20' ' ' ARG . 2.5 mp -10.69 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.331 0 C-N-CA 126.18 1.792 . . . . 0.0 115.619 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -167.07 -69.8 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 118.78 0.718 . . . . 0.0 111.734 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.67 -57.0 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtm -93.9 -18.33 22.07 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 56.0 mm-40 -65.82 -43.79 87.54 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.601 -0.687 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.786 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.85 -32.34 72.67 Favored 'General case' 0 N--CA 1.522 3.147 0 O-C-N 121.577 -0.702 . . . . 0.0 110.967 178.435 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.03 -55.0 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 9.9 pt-20 -67.14 -30.64 70.69 Favored 'General case' 0 N--CA 1.515 2.796 0 O-C-N 122.137 -0.352 . . . . 0.0 111.447 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 t90 -71.85 -32.26 67.33 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.486 -0.759 . . . . 0.0 112.021 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.5 11.91 4.18 Favored 'General case' 0 N--CA 1.511 2.61 0 CA-C-N 119.358 0.981 . . . . 0.0 111.629 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -50.18 0.53 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.221 -0.924 . . . . 0.0 110.804 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -17.57 62.47 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 121.674 -0.641 . . . . 0.0 111.785 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.4 mtpt -67.27 -64.71 0.8 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 119.286 0.948 . . . . 0.0 109.869 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.6 -31.67 70.83 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 122.371 -0.205 . . . . 0.0 111.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -77.62 -35.84 52.32 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 121.618 -0.676 . . . . 0.0 110.499 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -131.2 100.16 5.1 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.509 2.509 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.921 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.502 2.149 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' HB ' ' HG2' ' A' ' 6' ' ' GLN . 59.6 t -136.83 -94.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.38 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -136.08 -177.63 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.606 1.094 . . . . 0.0 111.163 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.31 21.33 2.47 Favored 'General case' 0 N--CA 1.51 2.561 0 O-C-N 121.562 -0.711 . . . . 0.0 110.694 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.85 -53.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HG2' ' HB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -56.62 -52.56 64.4 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD11 ' H ' ' A' ' 2' ' ' VAL . 1.5 mp -58.52 -38.47 77.81 Favored 'General case' 0 N--CA 1.515 2.811 0 O-C-N 122.079 -0.388 . . . . 0.0 110.373 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.8 mmt -63.0 -42.97 99.99 Favored 'General case' 0 N--CA 1.517 2.904 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -63.8 -45.41 89.8 Favored 'General case' 0 N--CA 1.513 2.693 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -65.94 -42.96 89.34 Favored 'General case' 0 N--CA 1.513 2.698 0 O-C-N 122.027 -0.421 . . . . 0.0 110.732 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.97 12.4 13.4 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 121.869 -0.519 . . . . 0.0 111.622 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA3' ' CZ3' ' A' ' 23' ' ' TRP . . . -124.67 46.52 1.08 Allowed Glycine 0 N--CA 1.496 2.642 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 15' ' ' LEU . 25.8 mmmt -130.58 -39.22 1.29 Allowed 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 117.515 0.658 . . . . 0.0 111.993 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -42.11 -43.9 3.45 Favored 'General case' 0 N--CA 1.523 3.193 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 20' ' ' ARG . 1.9 mp -19.02 -73.52 0.01 OUTLIER 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 125.429 1.492 . . . . 0.0 114.416 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -168.17 -74.75 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 118.621 0.646 . . . . 0.0 110.992 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.29 -56.04 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -92.83 -15.78 26.09 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.26 -51.54 65.73 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 121.468 -0.77 . . . . 0.0 110.019 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.778 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.43 -29.17 65.92 Favored 'General case' 0 N--CA 1.519 3.023 0 O-C-N 122.102 -0.374 . . . . 0.0 111.514 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.88 -46.19 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 121.806 -0.559 . . . . 0.0 109.54 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 pt-20 -85.29 -24.61 27.64 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' CZ3' ' HA3' ' A' ' 12' ' ' GLY . 48.8 t90 -75.36 -29.51 59.94 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 112.0 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.51 29.38 0.88 Allowed 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 119.321 0.964 . . . . 0.0 111.306 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -146.63 -51.67 0.22 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.259 -0.901 . . . . 0.0 111.089 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.1 -11.39 52.82 Favored 'General case' 0 N--CA 1.518 2.96 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.07 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -56.34 21.85 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 119.427 1.012 . . . . 0.0 110.59 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.17 -26.49 66.36 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.529 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -79.5 -49.06 12.84 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.65 -0.656 . . . . 0.0 109.908 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 37.77 -146.58 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.846 0.858 . . . . 0.0 112.907 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.509 2.492 0 CA-C-O 117.613 -1.184 . . . . 0.0 109.582 -179.996 . . . . . . . . 0 0 . 1 stop_ save_