data_6k8q_residue ############################ # Computer software used # ############################ 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 6k8q _Structure_validation_residue.Date_analyzed 2019-09-06 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 ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.259 0.552 . . . . 74.43 110.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 m -56.45 -50.35 71.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 74.42 110.057 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -56.25 -34.65 66.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.858 . . . . 72.01 109.881 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -46.31 71.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.294 -0.879 . . . . 73.32 109.848 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -35.03 58.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 74.43 109.932 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -56.62 -51.25 69.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 73.22 110.488 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -67.84 -31.27 70.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 74.52 110.447 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 13' ' ' MET . . . -69.3 -43.25 74.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 64.42 110.046 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG2' ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -35.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.199 -0.938 . . . . 75.51 109.823 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.7 t -58.03 -51.68 68.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 65.23 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.479 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 25.4 ptm -64.59 -31.94 73.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.381 -0.824 . . . . 63.44 110.082 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG21 HD22 ' A' ' 113' ' ' LEU . 37.6 t -75.37 -39.06 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.775 . . . . 71.31 111.338 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' SER . 15.6 pt-20 -78.23 -22.32 48.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.992 -1.068 . . . . 75.52 110.979 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -89.9 -15.93 31.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.923 -1.11 . . . . 75.21 109.821 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 36.0 t-20 -56.25 125.62 22.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 75.12 110.504 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -32.82 74.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 74.44 110.072 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 1.3 m-20 -59.52 -50.07 75.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.211 -0.931 . . . . 74.12 109.813 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -71.4 -32.54 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.237 -0.914 . . . . 72.54 109.578 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 24.5 ttp180 -53.24 -33.56 53.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.459 -0.775 . . . . 65.03 109.86 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -39.57 78.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 64.43 110.277 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.93 -45.45 89.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 71.23 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD21 ' N ' ' A' ' 24' ' ' LEU . 2.1 mm? -76.63 1.8 15.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 74.32 110.211 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 54.89 29.56 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 73.55 109.834 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 4.6 m . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.518 -0.739 . . . . 71.31 110.294 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.654 -0.498 . . . . 71.1 109.654 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 15.4 mt -109.92 146.05 35.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.081 -1.012 . . . . 72.2 111.338 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 147.22 52.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.061 -0.718 . . . . 75.45 109.061 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -138.05 162.83 33.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.982 -1.074 . . . . 64.33 111.095 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -148.79 172.26 14.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.654 -0.654 . . . . 74.43 109.535 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 110.18 -1.168 . . . . 73.13 110.18 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.536 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 34.3 mm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.388 0.613 . . . . 73.53 109.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 55' ' ' VAL . 9.8 p -97.0 148.07 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.835 . . . . 74.12 110.381 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.533 ' CB ' ' NE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -127.74 151.43 49.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 74.13 110.081 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -114.61 145.14 42.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.332 -0.855 . . . . 71.5 110.649 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -136.7 127.33 27.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.925 . . . . 73.03 110.037 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 72.11 110.086 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.095 0.474 . . . . 74.15 109.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -81.09 132.53 35.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 71.41 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -113.86 148.75 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 75.43 109.791 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.533 ' NE2' ' CB ' ' A' ' 56' ' ' SER . 3.2 t-160 -117.49 142.92 46.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 75.22 110.393 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 41.2 m-85 -127.15 122.22 33.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -0.79 . . . . 64.23 109.808 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.42 ' HE1' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -129.24 130.35 46.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 73.3 110.468 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -129.96 140.46 50.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 74.45 110.014 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.3 p90 -150.92 169.5 21.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.293 -0.88 . . . . 74.54 110.002 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -111.43 155.62 22.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 74.31 110.522 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 41.5 t -124.11 139.8 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 73.11 109.671 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HG3' HG12 ' A' ' 80' ' ' ILE . 3.3 tt0 -115.91 120.13 38.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.142 -0.974 . . . . 74.23 110.54 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 5.0 m -108.12 -178.27 3.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.364 -0.835 . . . . 73.12 109.854 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -13.5 59.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.93 . . . . 70.01 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -29.34 9.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.866 . . . . 74.11 110.41 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.88 -171.09 0.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.163 -0.961 . . . . 73.12 110.818 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 74' ' ' VAL . 2.2 mp -116.3 141.66 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 74.45 109.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.39 157.44 27.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 64.51 110.457 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.5 tp -113.16 128.85 56.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 71.34 109.661 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' CG1' ' HE3' ' A' ' 101' ' ' MET . 90.9 t -113.01 126.65 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 74.21 111.019 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 1.9 t-80 -124.04 130.93 53.38 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.082 -0.71 . . . . 74.41 109.082 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 72' ' ' PHE . 2.8 pp -141.59 153.49 44.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.893 -1.129 . . . . 72.32 111.486 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 tt0 -123.05 135.48 54.44 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.257 -0.646 . . . . 71.42 109.257 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.33 154.05 48.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.998 -1.064 . . . . 74.35 110.915 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG3' ' HB2' ' A' ' 97' ' ' ASP . 0.3 OUTLIER -134.55 144.51 48.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.53 -0.731 . . . . 74.11 109.77 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.149 -0.969 . . . . 73.54 110.211 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.484 0.944 0 N-CA-C 110.467 -0.628 . . . . 73.3 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.445 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . 80.7 m-20 -115.25 118.57 33.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 74.51 110.098 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE1' ' NH1' ' A' ' 9' ' ' ARG . 83.0 m-85 -80.01 136.06 36.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.906 . . . . 74.22 110.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.491 HG23 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -119.32 -24.67 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.27 -0.893 . . . . 65.1 109.842 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.77 129.16 27.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 64.13 110.19 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.436 ' HB2' HD11 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -149.06 115.46 5.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 74.41 110.044 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 24.6 p90 -146.82 163.61 35.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -0.974 . . . . 75.53 110.164 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 104' ' ' ASP . 30.7 t -128.97 159.5 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.188 -0.945 . . . . 74.12 110.59 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.495 ' N ' HG13 ' A' ' 103' ' ' VAL . 6.7 t70 -125.46 117.02 22.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 72.13 109.858 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.73 132.87 22.06 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.121 -0.987 . . . . 73.43 110.605 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -65.45 131.63 28.65 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.065 1.561 . . . . 74.34 110.355 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.93 -19.05 32.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.797 -1.321 . . . . 61.43 109.797 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.01 168.95 9.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -1.184 . . . . 71.34 110.287 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -84.81 143.17 29.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 75.34 110.205 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.25 139.08 43.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 74.35 110.19 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -122.87 126.03 46.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 73.42 110.551 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.2 m-85 -86.55 143.52 27.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 74.01 110.025 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -102.47 -31.11 10.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.209 -0.932 . . . . 75.41 110.191 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 101' ' ' MET . 21.1 mt -121.57 -80.4 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.285 -0.884 . . . . 72.54 110.119 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' N ' HG23 ' A' ' 114' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.255 -0.903 . . . . 75.33 110.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.29 0.566 . . . . 74.44 109.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -54.3 -48.28 71.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 73.41 110.221 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -33.14 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 72.44 110.134 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -40.95 82.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 75.13 110.026 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -34.3 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 73.32 109.897 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -58.75 -50.53 73.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.235 -0.915 . . . . 74.23 110.579 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 5.9 ptm85 -64.74 -39.02 92.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.146 -0.971 . . . . 75.13 110.354 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.76 -40.94 88.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.13 -0.981 . . . . 65.01 109.875 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -73.35 -36.53 49.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.085 -1.01 . . . . 74.4 110.092 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -53.04 -52.01 59.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 73.33 110.21 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 6.3 ptt? -68.49 -30.71 69.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.251 -0.905 . . . . 73.14 109.919 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG2' ' HE2' ' A' ' 101' ' ' MET . 36.5 t -69.9 -49.16 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 75.33 110.404 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 12.5 pt-20 -66.64 -25.04 66.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 74.11 110.432 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -98.37 -16.94 19.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.086 -1.008 . . . . 73.1 109.958 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.463 ' ND2' ' HG ' ' A' ' 113' ' ' LEU . 5.1 t30 -45.17 122.72 3.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 73.03 110.002 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -63.75 -26.23 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 74.15 110.566 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 10.7 m-20 -69.11 -45.49 70.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.24 -0.913 . . . . 73.45 110.861 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -73.3 -35.96 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.165 -0.959 . . . . 73.44 110.675 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -33.15 58.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.187 -0.945 . . . . 73.34 110.468 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -38.71 74.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.224 -0.922 . . . . 73.24 110.264 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD12 ' CG ' ' A' ' 111' ' ' TYR . 41.2 mt -72.41 -48.14 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.239 -0.913 . . . . 75.01 109.734 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -76.43 -7.2 54.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.538 -0.726 . . . . 74.21 110.131 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 39.6 mt-30 59.46 39.32 22.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 75.34 110.221 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 O-C-N 121.228 -0.92 . . . . 75.21 110.102 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.209 -0.663 . . . . 75.53 109.209 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 8.8 mt -99.74 146.6 26.37 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.142 -0.974 . . . . 75.34 110.893 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.57 143.98 49.87 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.667 -0.646 . . . . 75.01 109.978 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB2' HG22 ' A' ' 11' ' ' VAL . . . -139.04 164.69 29.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 64.31 110.312 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' O ' ' A' ' 40' ' ' GLY . 9.0 p90 -153.41 172.35 17.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.309 -0.87 . . . . 74.5 109.982 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' CA ' HD13 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 110.247 -1.141 . . . . 52.33 110.247 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.535 HD13 ' CA ' ' A' ' 40' ' ' GLY . 25.7 mm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.25 0.548 . . . . 73.51 109.98 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.29 150.67 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 73.14 110.419 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -129.28 150.47 50.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 61.15 110.151 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 74.8 p -111.36 143.21 42.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.248 -0.907 . . . . 73.04 110.381 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.1 ptpt -129.23 131.94 47.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 64.15 109.934 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.139 -0.975 . . . . 75.32 110.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.166 0.508 . . . . 74.32 110.18 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 19.5 m -86.21 133.71 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 72.21 110.231 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.74 140.91 41.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.846 . . . . 74.51 110.222 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.6 t60 -117.46 138.95 51.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 73.23 110.137 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 92.1 m-85 -122.37 130.47 53.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 73.52 110.269 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.482 ' CE ' HG23 ' A' ' 54' ' ' ILE . 3.2 ttt -136.85 139.5 41.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 65.44 110.12 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -144.67 150.91 38.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 75.34 110.241 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 72' ' ' PHE . 13.8 p90 -152.33 154.26 35.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.321 -0.862 . . . . 65.53 109.946 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 11.1 m170 -91.94 157.07 17.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 73.22 110.371 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 38' ' ' ALA . 58.5 t -132.54 135.67 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 65.05 109.804 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HG3' ' CG1' ' A' ' 80' ' ' ILE . 5.0 tt0 -120.47 126.47 50.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.162 -0.961 . . . . 75.53 110.623 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB2' HD22 ' A' ' 36' ' ' LEU . 10.9 p -116.67 176.29 5.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 52.22 109.952 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -78.93 -16.42 57.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 71.51 110.215 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 79' ' ' LYS . 1.1 mttm -99.07 -24.91 14.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 71.54 110.163 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.447 ' O ' ' OG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 177.05 -179.81 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.308 -0.87 . . . . 74.32 110.089 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG1' ' HG3' ' A' ' 75' ' ' GLU . 5.1 mp -115.83 144.7 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 71.13 110.245 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.94 157.85 41.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 72.14 110.443 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -113.18 136.64 52.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 74.32 109.164 179.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 55.5 t -124.44 131.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 72.44 111.218 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -128.8 131.14 47.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.55 -0.719 . . . . 63.0 109.076 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 101' ' ' MET . 2.2 pp -126.0 151.67 46.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.048 . . . . 75.14 111.161 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -131.34 131.75 43.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.577 -0.702 . . . . 62.22 109.463 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 96' ' ' PRO . . . -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 51.11 110.748 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -112.56 144.59 41.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.45 -0.782 . . . . 73.05 109.91 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 70.0 110.412 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 87' ' ' ALA . 48.4 Cg_endo . . . . . 0 N--CA 1.481 0.737 0 N-CA-C 110.385 -0.66 . . . . 74.11 110.385 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -101.55 123.61 45.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.956 . . . . 72.3 110.093 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.72 124.62 22.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.123 -0.986 . . . . 74.11 110.144 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.06 -18.84 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.235 -0.916 . . . . 73.01 110.363 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.09 128.33 16.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 74.22 110.213 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.434 ' HG3' ' HB2' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.95 130.63 14.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 74.52 110.212 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -147.4 157.09 43.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 73.55 109.946 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 14.7 p -121.46 153.04 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 74.23 110.538 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.06 116.08 22.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.297 -0.877 . . . . 71.32 110.242 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 2.8 p -121.0 130.84 24.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.167 -0.958 . . . . 75.42 110.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.8 Cg_exo -63.01 132.09 35.37 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.931 1.49 . . . . 71.32 110.642 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.69 -20.3 24.42 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.991 -1.243 . . . . 70.14 109.991 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 13.9 mm-40 -118.8 158.37 25.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.075 -1.25 . . . . 71.02 110.232 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.95 147.3 31.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.233 -0.917 . . . . 73.32 109.927 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 142.11 55.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 74.4 110.32 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CG ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -122.73 128.64 50.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.863 . . . . 72.11 109.965 179.767 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.548 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 33.4 m-85 -74.82 140.3 43.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.257 -0.902 . . . . 74.35 110.284 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.463 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -98.09 -29.63 13.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 73.23 110.067 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.65 -49.36 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 75.53 110.006 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 4.5 tttm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.323 -0.861 . . . . 74.13 110.288 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.214 0.53 . . . . 73.42 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.0 m -55.78 -52.28 64.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 74.54 109.525 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.75 -30.41 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.295 -0.878 . . . . 74.45 109.075 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.93 -44.67 78.56 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 73.21 109.658 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -76.75 -33.25 58.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.402 -0.812 . . . . 74.15 109.731 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 4' ' ' THR . 3.1 m-80 -51.59 -51.78 52.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 73.43 110.189 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -63.03 -31.97 73.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 74.44 109.88 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.14 -37.51 66.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 74.41 110.093 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -72.69 -30.34 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.3 -0.875 . . . . 63.11 109.88 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 11' ' ' VAL . 36.0 t -59.68 -49.6 77.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 65.32 110.303 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.02 -29.89 67.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 65.41 110.203 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' MET . 34.8 t -75.02 -41.95 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.164 -0.96 . . . . 75.24 110.471 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -74.31 -21.11 59.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.898 . . . . 74.22 110.589 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -100.66 -15.33 17.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 72.33 110.105 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 2.1 t30 -44.95 130.61 7.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 73.02 110.537 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -66.65 -42.51 86.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.398 -0.814 . . . . 74.14 109.935 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.78 -49.39 77.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.559 -0.713 . . . . 73.1 110.354 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.54 -35.87 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 71.14 109.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.05 -39.93 60.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.193 -0.942 . . . . 74.41 109.394 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -65.86 -44.5 85.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.425 -0.797 . . . . 74.13 109.46 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.01 -41.53 99.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.518 -0.738 . . . . 71.44 109.703 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -89.2 -10.01 48.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.341 -0.849 . . . . 74.41 110.17 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.2 mt-30 60.85 29.62 19.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 65.22 110.198 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 72.21 110.087 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.345 0.593 . . . . 74.44 109.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.8 mt -110.23 145.45 37.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.398 -0.813 . . . . 74.11 109.997 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.38 130.47 56.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.164 -0.96 . . . . 71.51 110.521 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.81 163.17 21.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 75.51 110.012 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.7 p90 -152.35 157.72 41.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 72.22 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.578 -1.409 . . . . 73.35 109.578 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 HD11 ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.249 0.547 . . . . 74.23 110.271 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.41 ' O ' ' HE2' ' A' ' 70' ' ' MET . 14.4 p -101.22 153.07 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 75.34 110.109 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 151.57 39.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.912 . . . . 72.0 110.374 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -99.74 149.38 23.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 62.44 110.031 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 3.8 ptmt -125.32 134.72 52.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.194 -0.941 . . . . 72.5 110.63 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 72.32 110.221 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.223 0.535 . . . . 75.11 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 9.1 m -78.52 137.25 37.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.223 -0.923 . . . . 71.25 110.254 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -119.32 140.44 50.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.188 -0.945 . . . . 75.2 110.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 6.6 t-80 -119.07 142.4 47.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 73.33 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 13.7 m-85 -127.44 123.96 37.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.241 -0.912 . . . . 74.43 110.086 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.465 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 0.0 OUTLIER -132.8 141.0 48.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 71.52 110.047 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 14.7 ptt180 -149.94 144.73 26.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.195 -0.941 . . . . 72.34 110.39 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 7.0 p90 -154.86 151.73 28.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 73.3 109.915 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.445 ' HA ' HD21 ' A' ' 82' ' ' LEU . 74.2 m-70 -89.8 157.14 18.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.976 . . . . 73.05 110.575 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 HG21 ' A' ' 83' ' ' VAL . 4.5 t -125.96 133.39 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 75.55 109.921 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.89 121.5 44.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 70.52 110.34 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -115.35 162.55 16.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 74.33 110.121 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -69.27 -13.87 62.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 75.33 110.221 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 3.4 mmtm -98.86 -28.82 13.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 74.24 110.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -178.58 -161.12 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.985 . . . . 72.52 110.394 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.98 141.48 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.309 -0.87 . . . . 74.15 110.18 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . . . -135.89 157.38 46.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 73.22 110.389 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 2.1 tm? -116.4 132.29 56.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 71.5 109.584 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 77.7 t -112.84 125.74 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.144 -0.972 . . . . 75.25 111.118 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 6.3 t-160 -119.94 127.79 53.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.51 -0.744 . . . . 74.1 109.422 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HB3' ' CE ' ' A' ' 101' ' ' MET . 2.5 pp -129.16 149.59 50.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.036 -1.04 . . . . 74.12 110.867 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.94 130.0 52.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.515 -0.741 . . . . 71.14 109.377 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -114.19 138.0 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.038 -1.039 . . . . 71.42 110.565 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 99' ' ' ILE . 2.7 ttpt -121.82 139.66 53.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.478 -0.764 . . . . 73.31 109.886 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.257 -0.902 . . . . 74.05 109.95 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.5 Cg_endo . . . . . 0 N--CA 1.482 0.826 0 N-CA-C 110.264 -0.706 . . . . 73.12 110.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.66 142.65 42.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 72.44 110.243 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 87' ' ' ALA . 42.4 m-85 -58.9 128.69 38.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.297 -0.877 . . . . 71.04 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 88' ' ' LYS . 6.7 pt -117.9 -23.13 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.441 -0.787 . . . . 72.11 109.818 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -137.57 130.05 29.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.838 . . . . 74.22 109.887 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -148.5 122.8 9.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.011 . . . . 71.41 110.61 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 33.5 p90 -147.65 158.82 44.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 75.31 110.031 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 12.0 p -122.44 151.84 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.13 -0.981 . . . . 75.42 110.409 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.89 121.62 32.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.158 -0.964 . . . . 72.01 110.284 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.43 HG12 HD11 ' A' ' 24' ' ' LEU . 2.2 m -114.39 133.47 22.45 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 70.13 110.086 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 19.6 Cg_exo -60.88 127.16 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.069 1.563 . . . . 71.42 110.932 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.23 -18.01 30.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.422 -1.071 . . . . 54.24 110.422 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.421 ' CB ' HG23 ' A' ' 105' ' ' VAL . 47.8 mt-10 -118.51 162.24 18.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.278 . . . . 73.42 110.774 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 145.51 38.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.437 -0.79 . . . . 75.2 110.096 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.4 ptt180 -76.78 140.97 40.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 74.33 110.331 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.89 55.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 75.3 110.035 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 115' ' ' LYS . 25.2 p90 -75.81 138.27 41.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.143 -0.973 . . . . 75.33 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.58 -35.51 12.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 71.25 109.99 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' LYS . 92.3 mt -117.5 -69.38 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 75.44 110.084 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 73.33 110.219 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.7 p30 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.307 0.575 . . . . 74.14 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 87.4 m -59.01 -31.97 69.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 74.2 109.843 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -70.55 -33.79 71.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 72.42 110.022 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.65 -40.05 95.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 75.11 109.957 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.03 -36.85 58.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 74.1 109.613 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 4' ' ' THR . 6.5 m-80 -56.27 -50.68 70.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 75.12 110.122 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.2 ptm85 -68.34 -35.89 78.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.343 -0.848 . . . . 74.43 110.135 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.505 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.79 -43.82 78.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 72.44 110.093 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -67.79 -32.38 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 70.14 109.815 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 20.9 t -63.51 -48.73 76.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 75.33 110.108 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 7.3 ptt? -68.44 -31.54 70.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.935 . . . . 75.12 110.021 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' MET . 52.3 t -74.78 -40.41 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 74.33 110.838 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 12' ' ' SER . 23.1 pt-20 -76.69 -19.29 57.88 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.143 -0.973 . . . . 74.4 110.76 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 12' ' ' SER . 8.1 pttp -103.67 -14.52 16.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 74.45 110.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' MET . 4.2 t30 -48.03 131.78 15.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 64.44 110.295 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.23 -44.62 83.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.244 -0.91 . . . . 75.43 109.996 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 54.6 m-20 -56.92 -46.34 82.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.454 -0.779 . . . . 75.13 110.111 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 34.9 mm -70.83 -34.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.218 -0.926 . . . . 70.32 109.788 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 6.3 ttp180 -53.19 -34.67 57.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.408 -0.808 . . . . 72.12 110.17 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.95 . . . . 73.4 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 23' ' ' LEU . 8.7 mt -73.59 -43.84 58.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 75.22 110.026 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -86.14 -4.35 59.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 72.15 110.195 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 54.69 39.5 31.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.182 -0.948 . . . . 73.15 109.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 5.8 t . . . . . 0 N--CA 1.487 1.397 0 O-C-N 121.422 -0.798 . . . . 64.01 110.075 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.383 0.611 . . . . 74.44 110.662 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 76' ' ' SER . 45.8 mt -109.81 145.71 36.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 74.3 110.012 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -120.28 143.85 48.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 73.25 110.259 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -141.19 149.71 41.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.43 -0.794 . . . . 63.13 110.285 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -147.99 154.89 40.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.235 -0.916 . . . . 73.14 110.126 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 110.014 -1.234 . . . . 74.43 110.014 -179.541 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.326 0.584 . . . . 70.3 110.215 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -96.77 149.7 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 74.43 110.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m -129.66 139.75 51.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 75.31 110.62 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 20.8 p -102.91 149.72 24.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.392 -0.817 . . . . 63.23 110.007 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -129.21 132.54 47.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 74.11 110.735 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.297 -0.877 . . . . 73.52 109.769 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.307 0.575 . . . . 72.33 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.3 m -77.88 138.74 39.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 71.34 110.387 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 30.0 m170 -113.83 138.7 49.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 74.22 109.81 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 57' ' ' THR . 2.9 m-70 -117.95 141.22 48.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.02 -1.05 . . . . 74.1 110.931 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE1' ' CD ' ' A' ' 86' ' ' GLU . 94.8 m-85 -121.34 127.28 51.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.375 -0.828 . . . . 74.44 109.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.449 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 27.8 ttm -149.09 130.5 14.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 73.45 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HB3' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.02 148.65 35.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.356 -0.84 . . . . 73.54 109.948 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 5.6 p90 -147.68 162.3 39.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 74.22 110.128 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 82' ' ' LEU . 8.8 m170 -95.62 159.2 15.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 74.24 110.27 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 38' ' ' ALA . 9.1 t -127.3 135.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.403 -0.811 . . . . 62.52 109.959 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.05 120.02 40.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 73.45 110.273 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' HD12 ' A' ' 24' ' ' LEU . 23.4 m -112.83 172.39 6.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 64.43 110.131 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -19.47 53.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 74.11 110.098 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 2.1 mttt -94.67 -26.75 16.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 74.35 109.932 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 179.74 -167.74 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.335 -0.853 . . . . 73.24 110.01 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.97 138.84 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 74.12 110.424 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.49 155.94 44.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 70.42 109.971 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 73' ' ' HIS . 5.9 tt -114.86 134.29 55.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.883 . . . . 71.05 109.901 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.546 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 65.7 t -117.72 123.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 72.55 110.685 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 3.4 t-160 -120.88 128.9 53.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 72.52 109.286 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 98' ' ' PHE . 3.4 pp -134.95 148.24 49.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.07 -1.019 . . . . 74.42 111.246 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.488 ' CD ' ' CE1' ' A' ' 69' ' ' TYR . 2.1 tt0 -116.07 133.94 55.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.589 -0.694 . . . . 74.42 109.163 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -115.68 150.31 36.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 63.13 110.939 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -132.8 139.42 47.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.499 -0.751 . . . . 73.53 109.671 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 96' ' ' PRO . 2.6 pp20? . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 71.22 110.471 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 50.4 Cg_exo . . . . . 0 N--CA 1.479 0.657 0 N-CA-C 110.048 -0.789 . . . . 72.13 110.048 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -122.55 148.57 45.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.126 -0.984 . . . . 75.55 110.097 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 85' ' ' LEU . 23.4 m-85 -68.76 131.91 45.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 73.45 110.401 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' ' 86' ' ' GLU . 2.9 pt -114.65 -16.58 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.909 . . . . 75.11 109.669 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 4.0 m120 -149.76 129.45 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.379 -0.825 . . . . 74.31 109.498 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.515 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.67 118.12 6.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.998 -1.064 . . . . 72.52 110.898 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 9.6 p90 -147.44 155.2 41.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.397 -0.814 . . . . 72.4 109.656 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 82' ' ' LEU . 8.7 p -124.34 149.5 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 72.33 110.718 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 114.97 29.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.373 -0.829 . . . . 65.5 109.597 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.17 127.1 27.41 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.87 . . . . 65.03 110.38 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -63.34 126.57 18.02 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.864 1.455 . . . . 75.53 110.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.35 -19.62 26.55 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.979 -1.248 . . . . 73.11 109.979 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -116.54 169.95 8.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.022 -1.281 . . . . 74.44 110.653 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -85.68 139.8 31.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 74.03 110.146 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.06 131.03 49.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.311 -0.868 . . . . 72.13 110.013 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 19' ' ' ASP . 11.5 t80 -108.56 133.16 53.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.17 -0.956 . . . . 74.22 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 53.1 m-85 -88.86 134.12 34.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.327 -0.858 . . . . 71.25 110.399 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -27.71 19.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.157 -0.964 . . . . 73.14 109.734 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.5 mt -133.64 -52.04 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.331 -0.856 . . . . 75.43 110.145 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 73.33 110.259 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.218 0.533 . . . . 71.2 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -54.64 -37.14 65.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 64.22 109.9 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -59.78 -32.31 70.49 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.349 -0.844 . . . . 74.31 109.851 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.7 tp -60.21 -42.21 94.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 72.4 109.746 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.2 -33.38 59.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.86 . . . . 75.44 109.448 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.31 -44.91 72.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.433 -0.792 . . . . 72.12 110.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 8.8 ptm180 -70.76 -31.93 68.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 75.34 110.22 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.66 -42.2 78.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.089 -1.007 . . . . 72.5 109.634 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -71.26 -31.65 44.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.316 -0.865 . . . . 73.05 109.874 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -62.37 -50.73 70.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 72.13 110.487 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.3 ptt? -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.132 -0.98 . . . . 64.12 110.016 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 13' ' ' MET . 55.5 t -74.66 -38.8 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.364 -0.835 . . . . 74.23 110.464 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 12' ' ' SER . 10.0 pt-20 -74.61 -25.61 59.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.047 -1.033 . . . . 75.31 110.452 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -98.07 -18.03 18.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 74.53 110.039 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -44.4 125.32 4.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.853 . . . . 73.52 110.182 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -64.4 -38.5 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 75.43 110.01 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.522 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 6.0 m-20 -62.08 -40.51 96.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.268 -0.895 . . . . 73.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 HG22 ' A' ' 20' ' ' ILE . 49.2 mm -75.81 -33.96 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 75.43 109.83 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 20.3 ttp85 -51.88 -40.62 60.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 74.41 109.949 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.92 77.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 75.33 110.201 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD21 ' OE2' ' A' ' 108' ' ' GLU . 12.6 mt -73.38 -40.7 64.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 74.51 110.226 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 1.2 mt -87.66 -9.46 54.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 74.44 110.413 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ARG . 36.4 mt-30 57.33 38.32 28.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 75.32 109.896 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' SG ' ' HG3' ' A' ' 21' ' ' ARG . 19.5 p . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.855 . . . . 75.53 110.222 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.273 0.559 . . . . 72.4 110.644 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.88 146.37 35.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 73.2 109.955 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 75' ' ' GLU . 1.0 OUTLIER -121.32 139.33 53.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.189 -0.944 . . . . 74.43 110.558 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -132.13 160.51 35.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.468 -0.77 . . . . 72.5 110.206 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -153.17 148.79 27.32 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.249 -0.907 . . . . 75.21 110.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 72' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.905 -1.278 . . . . 62.13 109.905 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.322 0.582 . . . . 72.2 110.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -103.8 153.22 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 75.23 110.357 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 m -119.92 150.29 40.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 52.3 110.286 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 41.2 p -99.43 141.69 31.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.257 -0.902 . . . . 74.42 109.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -110.22 125.39 53.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.206 -0.934 . . . . 74.33 110.357 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 73.22 109.984 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.069 0.461 . . . . 73.33 109.849 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.505 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 25.6 m -82.92 136.78 34.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.161 -0.962 . . . . 72.15 110.393 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -121.39 149.38 43.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 71.13 109.786 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 57' ' ' THR . 4.6 m-70 -115.95 138.41 51.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 73.25 110.105 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 33.5 m-85 -111.26 121.71 45.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 73.44 110.613 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.3 ttm -133.92 130.38 37.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 74.11 109.809 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.9 OUTLIER -140.04 154.22 47.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.15 -0.968 . . . . 65.53 110.634 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.557 ' N ' ' CD2' ' A' ' 72' ' ' PHE . 12.0 p90 -159.21 169.75 23.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.391 -0.818 . . . . 75.4 109.737 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -108.56 152.0 25.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 74.23 110.26 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 38' ' ' ALA . 25.4 t -123.87 130.27 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.368 -0.832 . . . . 73.55 109.74 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 1.7 tt0 -110.25 117.72 34.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 73.01 110.375 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.489 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 6.5 p -101.49 175.79 5.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.523 -0.735 . . . . 74.42 109.907 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -13.33 59.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 74.32 110.001 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 -25.24 12.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 73.05 110.513 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -173.01 -155.11 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 71.31 110.776 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.4 mt -135.03 143.1 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 62.34 109.856 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.34 157.84 45.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 75.25 110.626 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.7 OUTLIER -116.38 138.38 51.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 72.13 109.934 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.546 HG13 ' CZ ' ' A' ' 72' ' ' PHE . 92.1 t -117.23 130.22 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 70.31 110.793 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 3.3 t60 -126.93 118.64 24.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 75.45 109.69 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 98' ' ' PHE . 2.0 pp -128.39 151.82 48.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 75.22 110.858 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.42 137.6 53.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.826 . . . . 75.11 109.528 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.49 154.37 37.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.051 -1.031 . . . . 72.44 111.202 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -125.69 146.41 49.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.636 -0.665 . . . . 63.21 109.674 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.063 -1.023 . . . . 72.31 110.84 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.215 -0.643 0 N-CA-C 109.994 -0.81 . . . . 71.41 109.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -129.17 139.32 51.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 73.24 110.529 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 85' ' ' LEU . 18.0 m-85 -69.4 139.81 54.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 74.12 109.99 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.491 HG23 HD11 ' A' ' 99' ' ' ILE . 1.7 pt -120.89 -17.12 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.266 -0.896 . . . . 72.55 110.033 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 6.6 m120 -142.19 129.28 20.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 64.41 109.666 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.447 ' HE1' HD22 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -148.9 114.82 5.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.085 -1.009 . . . . 74.43 110.671 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 13.6 p90 -147.28 158.23 43.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.89 . . . . 75.1 109.919 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.505 ' CG2' HG22 ' A' ' 83' ' ' VAL . 88.8 t -129.82 143.16 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.108 -0.995 . . . . 73.54 110.582 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.04 115.25 27.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.348 -0.845 . . . . 71.22 109.922 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.89 115.75 54.8 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 73.33 110.156 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -58.46 127.0 23.06 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.872 1.459 . . . . 75.22 110.305 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.28 -15.57 49.04 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.423 . . . . 55.23 109.544 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' OE2' HD21 ' A' ' 23' ' ' LEU . 5.1 mm-40 -117.95 163.32 16.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.183 -1.187 . . . . 74.2 110.29 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -80.27 150.28 30.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.222 -0.924 . . . . 73.33 110.221 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 123.34 18.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.289 -0.882 . . . . 64.23 110.423 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -106.45 128.74 54.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 70.33 109.799 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 21.9 p90 -91.82 132.84 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 75.21 110.547 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD21 ' HE2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -86.35 -31.5 21.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 75.3 109.941 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.94 -46.46 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 72.41 109.944 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.85 . . . . 64.3 110.184 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.224 0.535 . . . . 74.14 110.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.9 m -65.09 -44.95 87.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 74.2 110.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.87 -36.97 83.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.854 . . . . 72.42 109.998 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -44.21 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.36 -0.837 . . . . 75.11 110.087 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.25 -33.43 63.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 74.1 109.65 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.09 -48.77 70.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.272 -0.893 . . . . 75.12 110.529 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 9.5 ptm180 -72.35 -31.85 65.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.135 -0.978 . . . . 74.43 110.549 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.69 -45.58 71.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.074 -1.016 . . . . 72.44 109.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -64.71 -34.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.329 -0.857 . . . . 70.14 110.227 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' HG11 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -61.39 -49.11 78.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 75.33 110.289 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 15.7 ptp -67.82 -31.58 71.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.241 -0.912 . . . . 75.12 110.415 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.515 ' N ' ' HG3' ' A' ' 13' ' ' MET . 24.9 t -74.68 -39.79 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 74.33 110.958 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -78.73 -21.4 48.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 74.4 110.969 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 2.0 ptmm? -95.76 -17.19 21.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.95 -1.094 . . . . 74.45 110.049 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 19' ' ' ASP . 43.3 t-20 -50.76 117.1 2.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 64.44 110.512 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 15.9 pttm -55.65 -33.59 64.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 75.43 109.658 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 20.7 m-20 -62.87 -49.63 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.301 -0.875 . . . . 75.13 109.607 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' CG1' HD12 ' A' ' 113' ' ' LEU . 25.3 mm -73.41 -32.47 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 70.32 109.593 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 ttm180 -53.82 -32.78 53.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 72.12 110.275 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -33.64 76.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.363 -0.836 . . . . 73.4 110.216 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 mt -70.8 -45.49 64.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 75.22 109.55 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 76' ' ' SER . 0.2 OUTLIER -75.77 -10.27 59.29 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.535 -0.728 . . . . 72.15 110.722 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 48.62 31.86 3.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 73.15 109.742 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 30.9 p . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 64.01 110.782 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.344 0.592 . . . . 74.44 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -99.07 147.18 25.31 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.335 -0.853 . . . . 74.3 109.998 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 129.81 56.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 73.25 110.789 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . . . -130.59 147.17 52.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.412 -0.805 . . . . 63.13 109.72 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' OH ' ' OE2' ' A' ' 75' ' ' GLU . 15.7 p90 -157.56 167.22 30.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 73.14 110.44 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.488 -1.445 . . . . 74.43 109.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.337 0.589 . . . . 70.3 110.352 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -97.69 146.64 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.301 -0.875 . . . . 74.43 110.022 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -124.9 149.94 47.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.931 . . . . 75.31 110.398 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.2 p -100.23 140.89 33.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 63.23 110.31 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -127.73 133.54 49.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 74.11 110.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.883 . . . . 73.52 110.283 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.245 0.545 . . . . 72.33 110.052 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.7 m -92.58 132.88 36.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.34 -0.85 . . . . 71.34 110.349 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -112.26 140.3 47.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 74.22 109.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.63 137.55 53.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 74.1 110.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.0 m-85 -126.01 121.38 32.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.877 . . . . 74.44 109.974 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 ttp -140.02 138.68 35.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -0.936 . . . . 73.45 110.554 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.36 148.19 34.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.243 -0.911 . . . . 73.54 110.099 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 1.5 p90 -147.93 154.87 40.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.196 -0.94 . . . . 74.22 110.212 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 82' ' ' LEU . 38.5 m-70 -99.28 160.16 14.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 74.24 110.466 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.422 HG23 HG23 ' A' ' 83' ' ' VAL . 25.7 t -123.8 146.11 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 62.52 109.616 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' OH ' ' A' ' 39' ' ' TYR . 4.4 tt0 -119.28 118.77 32.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 73.45 110.95 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -117.14 173.5 6.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.773 . . . . 64.43 109.738 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -78.62 -14.28 59.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 74.11 109.956 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -97.3 -25.35 15.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 74.35 110.303 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER 174.91 -176.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.157 -0.964 . . . . 73.24 110.197 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.0 mt -114.9 139.56 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.361 -0.837 . . . . 74.12 109.586 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -124.48 157.93 34.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 70.42 110.686 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 1.5 tm? -120.67 127.36 51.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.346 -0.846 . . . . 71.05 110.03 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 52.8 t -110.9 133.13 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.31 -0.869 . . . . 72.55 110.272 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 2.0 t60 -129.83 136.8 49.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 72.52 109.885 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 4.0 pp -142.54 148.21 37.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.165 -0.959 . . . . 74.42 110.565 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.68 137.53 54.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -0.789 . . . . 74.42 109.622 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -132.76 148.63 52.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.151 -0.968 . . . . 63.13 110.823 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG3' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -134.72 146.2 49.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.494 -0.754 . . . . 73.53 109.004 179.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.1 pt-20 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.044 -1.035 . . . . 71.22 110.996 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 N--CA 1.479 0.636 0 N-CA-C 110.193 -0.733 . . . . 72.13 110.193 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.49 ' OD1' ' HG3' ' A' ' 88' ' ' LYS . 8.5 p-10 -116.38 141.13 48.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 75.55 110.571 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -77.29 135.93 38.45 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.313 -0.867 . . . . 73.45 109.755 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.481 HG13 ' ND2' ' A' ' 100' ' ' ASN . 2.7 pt -114.63 -13.11 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.181 -0.949 . . . . 75.11 110.118 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.481 ' ND2' HG13 ' A' ' 99' ' ' ILE . 17.0 m-80 -149.92 129.35 12.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 74.31 109.747 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.437 ' HB2' HD11 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -146.19 119.33 8.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.213 -0.93 . . . . 72.52 110.152 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.556 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 29.6 p90 -147.28 161.05 41.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.287 -0.883 . . . . 72.4 110.086 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 110' ' ' ARG . 12.1 p -124.04 151.62 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.967 . . . . 72.33 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.27 114.94 27.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 65.5 110.232 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.85 129.32 25.08 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 65.03 109.894 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.503 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 17.2 Cg_endo -63.52 126.85 18.45 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.947 1.499 . . . . 75.53 110.575 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.77 -19.88 22.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.958 -1.257 . . . . 73.11 109.958 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -118.43 169.96 9.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.108 -1.23 . . . . 74.44 110.346 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -85.57 142.89 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 74.03 110.006 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -65.96 143.1 57.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 72.13 110.173 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -113.28 132.96 55.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 74.22 110.061 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 80.5 m-85 -84.1 132.87 34.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 71.25 110.381 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.496 HD12 ' CG1' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -87.51 -40.25 14.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 73.14 109.962 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 101' ' ' MET . 54.3 mt -109.75 -77.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 75.43 109.983 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 112' ' ' TYR . 3.4 ttpt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.891 . . . . 73.33 110.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.298 0.571 . . . . 73.21 110.139 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -59.9 -51.45 69.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 75.44 110.318 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.83 -31.7 72.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -0.871 . . . . 72.4 110.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 71.32 109.968 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -33.29 58.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.399 -0.813 . . . . 72.34 109.897 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -56.48 -51.31 68.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 73.24 110.769 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 ptm180 -61.61 -31.59 71.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.056 -1.027 . . . . 74.54 110.413 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -71.42 -48.07 51.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 73.02 109.671 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -68.25 -33.75 62.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.407 -0.808 . . . . 64.42 110.014 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.479 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 3.7 m -58.77 -50.48 73.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 72.22 110.313 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.4 ptm -66.83 -31.76 72.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.846 . . . . 64.33 110.039 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.505 ' N ' ' HG3' ' A' ' 13' ' ' MET . 49.8 t -74.17 -37.52 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 72.54 110.78 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 12' ' ' SER . 9.9 pt-20 -78.1 -25.71 47.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 75.42 110.913 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -95.08 -17.43 21.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.956 -1.09 . . . . 73.5 110.482 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 7.3 t-20 -49.16 126.78 13.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 74.44 110.213 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 26.4 pttt -65.91 -36.54 83.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 72.13 110.713 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 9.9 m-20 -59.63 -48.21 82.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 74.05 110.003 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.47 HG13 HD21 ' A' ' 113' ' ' LEU . 26.7 mm -62.53 -36.21 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 41.41 109.658 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -53.94 -34.0 58.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 74.34 109.804 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -63.28 -40.13 96.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 74.51 109.827 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 52.1 mt -73.28 -43.42 61.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.386 -0.821 . . . . 74.51 109.61 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 mm? -83.05 -10.09 58.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.573 -0.705 . . . . 73.43 110.175 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . 39.4 mt-30 52.23 34.93 15.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 71.04 110.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' O ' ' CZ ' ' A' ' 21' ' ' ARG . 28.5 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 73.44 110.174 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' NH1' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.296 0.569 . . . . 74.52 110.294 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 76' ' ' SER . 30.7 mt -109.6 146.13 35.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -0.867 . . . . 74.44 110.032 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 137.02 53.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 74.33 110.536 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 73' ' ' HIS . . . -121.51 164.31 17.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.499 -0.751 . . . . 75.24 110.05 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' GLY . 29.2 m-85 -138.46 153.03 48.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.115 -0.99 . . . . 75.55 110.424 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.489 2.221 0 C-N-CA 120.218 -0.991 . . . . 74.42 110.807 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 11.3 mm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.24 0.543 . . . . 73.44 110.513 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -99.7 148.55 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.182 -0.949 . . . . 74.13 109.967 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' HE1' ' A' ' 70' ' ' MET . 0.6 OUTLIER -122.76 150.49 42.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 64.55 110.498 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.9 p -100.05 145.48 27.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 75.12 110.131 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 126.47 37.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 72.43 110.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 75.14 110.079 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 88' ' ' LYS . 35.1 ttp180 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.279 0.561 . . . . 71.53 110.26 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -84.6 131.67 34.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.944 . . . . 64.41 110.401 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -109.9 142.25 41.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.918 . . . . 73.2 109.914 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 57' ' ' THR . 43.8 m-70 -117.38 137.49 52.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.204 -0.935 . . . . 75.44 110.391 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 10.2 m-85 -124.31 135.75 53.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 74.45 110.153 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.434 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 2.9 ttm -141.6 143.84 33.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.166 -0.959 . . . . 74.35 110.263 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 149.65 38.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.935 . . . . 75.41 110.453 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.478 ' CE1' HG11 ' A' ' 83' ' ' VAL . 1.8 p90 -155.94 165.29 36.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -0.851 . . . . 72.42 110.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 m80 -102.05 157.4 16.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.161 -0.962 . . . . 74.41 109.965 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG21 ' CG2' ' A' ' 83' ' ' VAL . 75.7 t -124.87 140.63 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.238 -0.914 . . . . 63.02 110.14 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -119.08 122.13 41.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.228 -0.92 . . . . 73.53 110.462 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 24.2 p -114.62 175.1 5.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 73.32 110.16 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -79.42 -17.32 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 72.22 110.318 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.81 -24.8 14.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 74.4 110.234 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -178.65 -166.57 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.335 -0.853 . . . . 75.34 110.313 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -125.68 144.93 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.244 -0.91 . . . . 71.44 110.098 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.16 157.99 44.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 65.23 110.513 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -112.82 137.99 50.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 74.41 109.684 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.502 ' CG2' HG21 ' A' ' 74' ' ' VAL . 84.1 t -119.39 133.33 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 74.43 111.007 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 10.0 t60 -130.32 135.56 48.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.5 -0.75 . . . . 72.51 109.072 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.519 ' CB ' ' HG2' ' A' ' 101' ' ' MET . 3.8 pp -141.58 153.0 44.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 72.11 111.32 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HG2' ' CD1' ' A' ' 69' ' ' TYR . 1.1 tt0 -126.68 130.38 50.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.737 . . . . 73.21 109.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -123.31 153.33 40.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.014 -1.053 . . . . 44.51 111.067 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 65' ' ' ARG . 4.9 ttpt -119.77 144.38 47.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.515 -0.74 . . . . 75.0 109.819 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.2 pp20? . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 65.11 110.251 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 110.213 -0.726 . . . . 71.52 110.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.85 117.31 21.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.153 -0.967 . . . . 73.31 110.437 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 9' ' ' ARG . 65.4 m-85 -68.45 136.74 53.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 73.35 109.876 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -119.33 -19.94 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 74.15 110.454 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 37.8 m-20 -145.2 129.71 17.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 75.14 110.381 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.519 ' HG2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -148.92 120.01 7.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.474 -0.766 . . . . 74.25 110.174 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.7 p90 -146.95 163.18 36.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.22 -0.925 . . . . 75.23 109.961 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 58.7 t -124.69 151.75 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 75.22 110.473 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.55 115.58 30.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 75.14 110.152 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 33.9 t -106.98 128.08 26.78 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 75.23 110.319 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -64.24 126.33 16.87 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.84 1.442 . . . . 72.41 110.367 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.63 13.81 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.971 -1.252 . . . . 63.22 109.971 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 29.0 mt-10 -119.17 161.04 21.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.136 -1.214 . . . . 63.22 109.891 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 145.29 37.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 72.1 110.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -62.31 125.92 25.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.946 . . . . 74.23 110.37 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.527 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.0 t80 -94.35 128.06 40.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 73.14 109.976 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.48 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 21.2 p90 -76.41 137.17 39.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.917 . . . . 74.24 110.596 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.47 HD21 HG13 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -93.91 -37.62 11.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 74.33 109.947 179.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG22 HD11 ' A' ' 114' ' ' ILE . 26.0 mt -111.98 -46.59 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 75.13 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 1.7 ttpt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.296 -0.877 . . . . 75.35 110.208 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.281 0.562 . . . . 74.05 109.818 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -64.9 -48.2 75.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 72.24 109.863 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.35 -31.35 67.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.931 . . . . 73.43 109.86 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.9 -41.54 98.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.393 -0.817 . . . . 74.24 109.767 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -36.4 52.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.886 . . . . 75.24 109.669 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -56.04 -51.89 66.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 72.31 110.483 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 2.5 ptt180 -59.84 -37.94 80.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.129 -0.982 . . . . 74.21 109.897 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -65.25 -47.53 76.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 70.02 109.743 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -30.82 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 73.31 109.78 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.4 -44.92 95.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 75.13 110.253 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.527 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.8 ptp -72.54 -30.69 64.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.912 . . . . 74.53 109.964 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.508 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.1 t -72.11 -40.73 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.861 . . . . 71.23 110.614 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 12' ' ' SER . 2.4 pp20? -78.19 -21.05 50.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 74.33 110.613 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 27.0 pttt -96.76 -15.03 21.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.12 -0.987 . . . . 75.21 110.411 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 120.71 6.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 71.34 110.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -65.5 -26.1 67.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 72.32 110.381 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 42.5 m-20 -72.04 -44.03 64.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.172 -0.955 . . . . 74.44 110.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.3 -35.62 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 72.32 110.268 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' GLN . 17.0 ttm180 -52.13 -35.79 49.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.116 -0.99 . . . . 73.45 110.128 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.09 91.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 72.15 110.081 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 32.1 mt -73.1 -46.46 51.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 75.44 109.476 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -88.21 5.64 40.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.621 -0.674 . . . . 75.21 110.125 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 21' ' ' ARG . 40.1 mt-30 48.74 30.45 2.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.127 -0.983 . . . . 73.32 109.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . 1.1 t . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.29 -0.881 . . . . 65.51 110.357 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.391 0.615 . . . . 73.32 110.248 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 27.9 mt -109.77 146.92 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.828 . . . . 74.1 110.236 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 141.51 46.96 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.276 -0.89 . . . . 75.3 109.736 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.8 158.48 43.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 70.45 110.9 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 9.1 p90 -144.04 157.34 44.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 74.22 109.759 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 72' ' ' PHE . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 109.787 -1.325 . . . . 72.34 109.787 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.403 HG21 HD11 ' A' ' 54' ' ' ILE . 24.7 mm . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.279 0.561 . . . . 64.12 110.06 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.0 t -97.36 142.29 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 74.53 110.2 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 m -121.41 145.83 47.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.211 -0.93 . . . . 74.42 110.118 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 33.8 p -99.93 145.66 27.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.316 -0.865 . . . . 70.15 110.342 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -133.8 126.37 30.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.304 -0.873 . . . . 73.31 110.138 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.871 . . . . 75.22 110.042 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.318 0.58 . . . . 75.34 110.035 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 2.3 m -82.23 131.13 35.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 74.35 110.598 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -113.75 142.44 46.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 70.41 109.731 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -120.08 142.71 48.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.087 -1.008 . . . . 73.42 110.612 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 72.6 m-85 -126.38 125.87 42.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 70.33 109.96 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 7' ' ' PHE . 2.7 ttt -134.53 137.88 44.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.218 -0.926 . . . . 75.31 110.45 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HG2' ' ND1' ' A' ' 84' ' ' HIS . 3.9 mtt180 -138.41 142.78 39.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.882 . . . . 74.25 109.974 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CZ ' ' CG1' ' A' ' 83' ' ' VAL . 19.7 p90 -152.62 155.18 36.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 65.42 110.403 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' HD11 ' A' ' 82' ' ' LEU . 23.6 m170 -101.01 160.02 14.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.216 -0.927 . . . . 71.01 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 75' ' ' GLU . 56.1 t -129.18 148.95 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.839 . . . . 74.23 109.895 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -127.68 117.82 22.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 74.44 110.736 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.472 ' OG ' ' CD2' ' A' ' 36' ' ' LEU . 2.3 t -114.13 175.24 5.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.378 -0.827 . . . . 73.42 110.203 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.23 -15.91 59.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.301 -0.874 . . . . 75.24 110.052 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -93.29 -28.56 16.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.304 -0.873 . . . . 74.02 109.952 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 173.1 -174.58 0.05 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 74.42 110.05 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 mp -115.24 142.44 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 74.42 110.25 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.1 157.98 40.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 75.24 110.403 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 73' ' ' HIS . 12.2 tp -113.99 133.05 55.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 71.23 109.465 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.542 ' CG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.4 t -120.76 126.32 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 72.23 111.146 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' ND1' ' HG2' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -124.22 128.34 49.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.824 . . . . 73.4 109.222 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.539 HD13 ' CE1' ' A' ' 98' ' ' PHE . 4.2 pp -128.66 148.05 50.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 74.2 111.361 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 3.2 mt-10 -119.46 131.06 55.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 73.22 109.221 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -121.01 153.12 37.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 75.21 111.2 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -129.05 144.25 51.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.696 -0.628 . . . . 73.43 109.381 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 7.4 pt-20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 64.02 110.449 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 N--CA 1.484 0.948 0 N-CA-C 110.156 -0.748 . . . . 74.1 110.156 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -120.39 126.58 50.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.115 -0.991 . . . . 64.42 110.344 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 85' ' ' LEU . 22.8 m-85 -60.18 139.07 57.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 72.1 110.047 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.48 -23.06 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 75.33 110.016 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -147.54 129.59 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 72.44 109.733 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.51 ' HB2' ' CD1' ' A' ' 114' ' ' ILE . 15.6 ttt -148.81 131.91 16.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.057 -1.027 . . . . 74.13 110.985 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 24.4 p90 -148.54 155.3 40.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 75.43 109.903 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 p -120.87 142.24 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.043 -1.036 . . . . 75.34 110.469 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.1 114.97 29.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 72.23 109.891 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.74 130.66 22.68 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.226 -0.921 . . . . 74.22 109.979 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -67.18 126.52 15.2 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 123.823 1.433 . . . . 73.22 110.484 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.85 -18.7 24.96 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.178 -1.169 . . . . 70.33 110.178 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.78 163.31 15.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.046 -1.267 . . . . 74.23 110.485 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.75 127.55 32.63 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.83 . . . . 75.41 110.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 138.73 29.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.179 -0.951 . . . . 72.51 110.039 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 1.3 t80 -117.86 129.07 55.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.268 -0.895 . . . . 73.04 110.262 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 16.1 p90 -82.35 141.37 32.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.9 . . . . 73.25 110.239 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.72 -27.56 12.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 75.22 110.236 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 42.3 mt -111.75 -47.42 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 74.45 110.544 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 72.1 110.25 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' OD2' ' O ' ' A' ' 54' ' ' ILE . 1.7 p30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.27 0.557 . . . . 71.52 110.231 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.1 m -54.06 -51.96 62.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 71.44 110.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -55.76 -30.46 61.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 63.24 109.91 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -40.48 96.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.869 . . . . 72.44 110.232 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.67 -36.68 60.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -0.848 . . . . 74.31 109.836 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.14 -45.85 75.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.857 . . . . 74.31 110.432 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.7 ptm180 -74.33 -35.46 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.924 . . . . 74.42 110.484 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -65.1 -41.19 95.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 71.0 110.219 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -33.92 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.221 -0.925 . . . . 75.41 110.126 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -52.63 -49.09 65.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.314 -0.866 . . . . 70.03 110.289 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.5 ppp? -71.72 -29.57 64.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.291 -0.881 . . . . 74.34 110.083 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.505 ' N ' ' HG3' ' A' ' 13' ' ' MET . 19.8 t -74.67 -44.05 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 75.13 110.488 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -77.53 -22.64 50.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.16 -0.963 . . . . 74.44 110.346 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -97.24 -14.84 21.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 75.44 110.107 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.422 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.1 t30 -46.82 121.68 3.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 62.14 110.392 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.54 -31.1 72.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.953 . . . . 61.34 110.099 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.68 -42.16 78.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.5 110.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 HD11 ' A' ' 20' ' ' ILE . 48.4 mm -71.57 -33.95 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 75.52 110.201 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.5 mtp-105 -55.06 -36.79 65.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 72.15 110.184 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -36.56 84.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 75.31 110.02 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HA ' HD21 ' A' ' 23' ' ' LEU . 44.8 mt -73.66 -42.57 61.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.208 -0.933 . . . . 74.15 109.75 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 2.4 mm? -78.98 -10.0 59.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 74.23 110.507 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' CYS . 26.0 mt-30 55.5 33.55 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -0.954 . . . . 74.13 109.682 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 24' ' ' LEU . 98.9 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.367 -0.833 . . . . 75.22 110.608 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.183 0.516 . . . . 74.45 109.702 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 76' ' ' SER . 72.6 mt -109.56 143.12 39.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.098 -1.001 . . . . 72.43 110.926 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.88 129.56 38.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.429 -0.794 . . . . 75.11 109.698 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' CB ' HG23 ' A' ' 74' ' ' VAL . . . -120.49 163.86 17.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 74.11 110.518 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -159.36 171.29 20.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.301 -0.875 . . . . 74.13 109.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.487 2.081 0 N-CA-C 109.245 -1.542 . . . . 74.43 109.245 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 HD12 ' HA3' ' A' ' 40' ' ' GLY . 19.8 mm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.509 -0.552 . . . . 73.1 109.509 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 55' ' ' VAL . 9.2 p -94.89 143.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.257 -0.902 . . . . 73.23 110.154 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.577 ' CB ' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -123.98 151.84 43.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.457 -0.777 . . . . 73.33 110.608 -179.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -100.02 147.36 25.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 71.54 110.309 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 127.27 36.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 74.11 110.047 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 74.23 110.185 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.276 0.56 . . . . 74.44 110.172 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 23.0 m -93.64 141.04 28.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.289 -0.882 . . . . 74.22 110.304 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -105.56 146.2 29.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 74.23 109.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.577 ' NE2' ' CB ' ' A' ' 56' ' ' SER . 63.7 t-80 -117.2 136.13 53.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 72.45 110.286 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 74.5 m-85 -125.95 119.65 28.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 74.12 110.034 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE3' ' HB3' ' A' ' 7' ' ' PHE . 12.4 ttt -137.77 140.51 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.175 -0.953 . . . . 71.23 110.158 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -149.88 149.47 30.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 72.45 110.714 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.14 156.97 42.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.385 -0.822 . . . . 72.24 109.819 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 73' ' ' HIS . 17.2 m-70 -92.3 154.6 18.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 74.54 110.495 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 38' ' ' ALA . 19.2 t -126.62 131.21 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 72.33 109.85 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.02 123.95 47.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 63.42 110.355 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.435 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 1.2 t -109.21 170.38 8.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 71.34 110.097 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -76.28 -16.43 59.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 72.41 110.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -29.17 11.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 74.3 110.34 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -170.09 -164.26 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.013 . . . . 75.33 110.478 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.05 141.75 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 75.45 109.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.88 157.23 45.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 42.54 110.44 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -114.91 137.95 51.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.39 -0.819 . . . . 72.43 109.831 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG13 HG21 ' A' ' 14' ' ' VAL . 44.8 t -114.88 130.15 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.154 -0.966 . . . . 74.33 110.772 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . 26.2 m-70 -128.99 124.3 34.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 75.31 109.491 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -130.62 150.15 51.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.086 -1.009 . . . . 74.23 111.051 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 69' ' ' TYR . 1.2 mp0 -121.46 136.51 54.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.536 -0.727 . . . . 72.5 109.362 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.82 150.92 49.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.886 -1.134 . . . . 74.01 111.1 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 144.0 48.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.565 -0.71 . . . . 73.12 109.394 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.095 -1.003 . . . . 73.52 110.979 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 N--CA 1.483 0.894 0 N-CA-C 110.257 -0.709 . . . . 75.01 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.07 128.17 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.927 . . . . 73.15 110.183 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -59.03 138.35 57.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 75.42 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 99' ' ' ILE . 1.3 pt -118.97 -20.78 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 74.31 109.817 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 28.4 m-20 -141.6 130.0 22.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.356 -0.84 . . . . 75.13 109.883 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -148.92 118.53 6.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 62.24 110.621 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 44.8 p90 -147.43 158.28 43.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 74.43 109.863 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 28.5 t -122.49 150.85 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.089 -1.007 . . . . 74.11 110.5 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' N ' HG11 ' A' ' 103' ' ' VAL . 13.9 t0 -112.65 118.52 35.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.886 . . . . 74.24 109.936 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 108' ' ' GLU . 40.2 t -110.1 124.93 32.18 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 74.21 110.267 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 17.1 Cg_exo -63.13 127.2 19.61 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.891 1.469 . . . . 74.3 110.424 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.65 -20.3 24.26 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.744 -1.342 . . . . 74.32 109.744 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HB2' HG12 ' A' ' 105' ' ' VAL . 56.5 mm-40 -118.77 156.33 29.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -1.149 . . . . 65.54 110.053 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 133.1 42.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.973 . . . . 75.41 109.927 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 10.2 ptp180 -61.07 143.54 55.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 72.41 110.335 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -120.42 133.24 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.397 -0.814 . . . . 73.12 110.357 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.5 m-85 -79.72 147.07 32.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 73.12 110.28 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.422 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.67 -41.02 6.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.246 -0.909 . . . . 74.15 110.493 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 61.1 mt -107.46 -68.4 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 73.32 110.417 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 114' ' ' ILE . 4.6 pttp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.497 -0.752 . . . . 75.22 110.805 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' HE2' ' A' ' 70' ' ' MET . 1.9 p30 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.299 0.571 . . . . 71.52 110.364 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -56.65 -45.98 81.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.218 -0.926 . . . . 71.44 110.355 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.05 -32.65 71.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.173 -0.954 . . . . 63.24 110.493 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.8 95.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.153 -0.967 . . . . 72.44 110.199 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -35.76 57.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 74.31 109.761 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -56.86 -51.72 67.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 74.31 110.356 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.9 ptm180 -66.41 -32.0 73.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 74.42 109.948 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.56 -50.96 56.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.419 -0.8 . . . . 71.0 109.494 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.491 ' CG2' ' CB ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -65.19 -34.69 72.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 75.41 109.857 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 21.0 t -62.56 -46.94 86.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.387 -0.821 . . . . 70.03 110.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.553 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.21 -29.83 64.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -0.969 . . . . 74.34 110.02 179.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.553 ' N ' ' HG3' ' A' ' 13' ' ' MET . 72.3 t -72.12 -40.7 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 75.13 110.555 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 1.3 pp20? -77.08 -19.97 56.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.003 . . . . 74.44 110.363 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -100.07 -16.12 17.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.139 -0.976 . . . . 75.44 110.401 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' MET . 2.6 t30 -53.95 121.68 8.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 62.14 110.207 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -42.55 67.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.204 -0.935 . . . . 61.34 110.181 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 9.3 m-20 -61.65 -43.84 98.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 73.5 110.197 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 111' ' ' TYR . 51.5 mm -74.67 -35.63 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 75.52 109.994 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -50.95 -41.4 59.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 72.15 109.751 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.5 70.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.852 . . . . 75.31 109.95 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 19' ' ' ASP . 11.5 mt -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.301 -0.874 . . . . 74.15 109.8 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HA ' ' CE ' ' A' ' 79' ' ' LYS . 1.8 mm? -84.77 -10.03 57.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.344 -0.848 . . . . 74.23 110.184 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 53.66 41.9 31.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.27 -0.894 . . . . 74.13 110.014 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.33 -0.856 . . . . 75.22 110.27 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.48 0.657 . . . . 74.45 110.817 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 15' ' ' GLU . 25.0 mt -109.73 147.34 33.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.44 -0.787 . . . . 72.43 109.336 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 131.15 55.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 75.11 111.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -137.8 151.87 48.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.731 -0.606 . . . . 74.11 109.569 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.3 p90 -157.29 167.22 30.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.024 -1.048 . . . . 74.13 110.431 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.538 ' CA ' HD13 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 109.194 -1.563 . . . . 74.43 109.194 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.538 HD13 ' CA ' ' A' ' 40' ' ' GLY . 25.8 mm . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.382 0.61 . . . . 73.1 110.576 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.21 151.99 6.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.363 -0.836 . . . . 73.23 109.843 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 150.46 50.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 73.33 110.758 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.1 p -101.37 146.05 28.1 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.355 -0.841 . . . . 71.54 109.67 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 6.7 ptpt -129.22 124.65 35.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 74.11 110.722 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 74.23 109.558 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.177 0.513 . . . . 74.44 110.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 7.3 m -97.8 129.51 44.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 74.22 110.645 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -105.93 136.72 45.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 74.23 109.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 57' ' ' THR . 15.6 m170 -118.2 142.51 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 72.45 110.787 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' CE1' ' OE2' ' A' ' 86' ' ' GLU . 70.1 m-85 -124.95 121.29 34.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.337 -0.852 . . . . 74.12 109.693 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.453 ' CE ' HG21 ' A' ' 54' ' ' ILE . 2.6 ttt -135.07 144.16 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.093 -1.004 . . . . 71.23 110.609 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.8 143.62 25.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.353 -0.842 . . . . 72.45 110.156 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.556 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 10.1 p90 -147.62 152.47 37.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 72.24 110.097 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.534 ' CD2' HD21 ' A' ' 82' ' ' LEU . 21.2 m170 -90.06 155.76 18.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 74.54 110.451 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 HG21 ' HB1' ' A' ' 38' ' ' ALA . 10.6 t -128.92 130.83 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -0.867 . . . . 72.33 109.988 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.94 128.8 54.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.174 -0.954 . . . . 63.42 110.358 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.449 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.6 172.14 7.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 71.34 110.092 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -13.69 59.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 72.41 110.213 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -106.76 -28.83 9.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.302 -0.874 . . . . 74.3 110.534 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -170.75 -168.19 0.65 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 75.33 110.547 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.67 144.5 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.312 -0.868 . . . . 75.45 109.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.02 157.82 43.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 42.54 110.568 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -114.9 135.96 53.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.38 -0.825 . . . . 72.43 109.484 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 41.6 t -118.4 127.22 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 74.33 111.026 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 1.3 m-70 -123.21 132.88 54.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 75.31 109.598 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 3.6 pp -141.74 153.89 44.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.98 -1.075 . . . . 74.23 111.107 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -130.1 126.87 38.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.484 -0.76 . . . . 72.5 109.311 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -111.17 150.64 29.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 74.01 110.92 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 99' ' ' ILE . 16.3 ttpt -134.66 138.56 44.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.582 -0.699 . . . . 73.12 109.612 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 73.52 110.299 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.482 0.821 0 N-CA-C 110.175 -0.74 . . . . 75.01 110.175 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.76 125.51 54.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 73.15 110.429 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.476 ' HB3' ' CD1' ' A' ' 114' ' ' ILE . 73.7 m-85 -59.53 134.67 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 75.42 109.76 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.453 HD12 ' OE1' ' A' ' 86' ' ' GLU . 5.5 pt -121.77 -15.68 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.183 -0.948 . . . . 74.31 110.56 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 56.5 m-80 -155.89 131.7 9.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 75.13 110.483 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.523 ' HE1' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.63 127.22 12.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 62.24 110.325 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 21.6 p90 -147.23 149.69 33.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.226 -0.921 . . . . 74.43 110.372 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 9.1 p -120.94 150.04 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.203 -0.936 . . . . 74.11 110.386 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.44 117.01 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.356 -0.84 . . . . 74.24 110.224 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 2.4 p -116.19 131.21 23.9 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 74.21 110.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 14.1 Cg_exo -64.5 132.38 33.1 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.89 1.468 . . . . 74.3 110.742 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.22 21.51 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.105 -1.198 . . . . 74.32 110.105 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.483 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.3 mt-10 -118.88 164.37 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.073 -1.251 . . . . 65.54 110.373 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.7 129.57 34.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 75.41 110.257 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -52.63 139.83 24.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 72.41 110.253 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 11.8 t80 -117.6 126.32 52.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.359 -0.838 . . . . 73.12 109.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 32.9 m-85 -76.88 137.39 39.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 73.12 110.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -37.74 12.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 74.15 110.093 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.499 HD13 HG21 ' A' ' 114' ' ' ILE . 54.8 mt -116.87 -51.84 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 73.32 110.193 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 75.22 110.154 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 4' ' ' THR . 1.7 p30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.12 0.486 . . . . 63.31 110.1 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.506 ' N ' ' OD2' ' A' ' 3' ' ' ASP . 19.5 m -58.62 -44.42 89.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 75.21 109.869 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -67.76 -35.26 78.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 74.2 109.721 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 68.8 mt -61.58 -38.8 88.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 75.3 109.974 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.07 -35.25 64.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.268 -0.895 . . . . 64.55 109.479 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' SER . 7.1 m-20 -62.43 -51.58 66.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 70.2 110.176 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 10.0 ptm180 -68.18 -41.65 81.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.164 -0.96 . . . . 73.32 109.914 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -59.59 -49.24 78.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 73.22 109.822 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.56 -36.52 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.251 -0.906 . . . . 72.2 109.986 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -57.32 -51.05 70.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 75.01 109.929 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 6.3 ptt? -65.32 -31.73 73.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.276 -0.89 . . . . 64.54 109.835 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.7 t -73.97 -35.67 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 74.1 110.442 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' SER . 8.7 pt-20 -80.65 -21.04 41.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 74.14 110.678 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 6.9 ptmm? -98.57 -17.02 18.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 73.31 110.406 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' ND2' HD23 ' A' ' 113' ' ' LEU . 2.0 t30 -47.84 119.48 2.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 75.21 110.022 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.7 pttm -58.01 -38.11 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 75.32 110.185 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 21.5 m-20 -57.51 -49.53 76.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.915 . . . . 71.22 109.531 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 46.8 mm -67.49 -33.94 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.891 . . . . 74.51 109.433 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -52.65 -35.52 55.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.448 -0.782 . . . . 74.24 109.457 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -64.53 -40.35 95.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 73.24 109.763 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 111' ' ' TYR . 58.5 mt -71.97 -42.31 66.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 65.03 109.319 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -75.48 -10.16 59.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.521 -0.737 . . . . 74.4 110.184 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.29 30.09 5.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 72.33 109.815 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' HB3' HD11 ' A' ' 24' ' ' LEU . 27.3 p . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.35 -0.844 . . . . 72.55 110.493 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.464 0.649 . . . . 75.12 110.6 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 76' ' ' SER . 13.5 mt -109.66 147.73 32.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.485 -0.759 . . . . 73.31 109.946 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -113.37 133.87 54.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.39 -0.819 . . . . 74.53 110.999 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB3' HG13 ' A' ' 74' ' ' VAL . . . -140.09 136.23 33.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.576 -0.703 . . . . 61.54 109.591 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.6 p90 -135.28 165.2 25.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.121 -0.987 . . . . 73.12 110.639 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.557 -1.417 . . . . 60.14 109.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 21.8 mm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.127 0.489 . . . . 73.25 110.332 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -101.38 151.4 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 75.25 110.095 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.3 p -129.19 151.45 49.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 65.33 110.462 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 29.1 p -105.82 146.55 29.75 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.49 -0.756 . . . . 75.21 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -135.21 127.11 29.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.03 110.407 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 73.21 109.923 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' CD ' ' NE2' ' A' ' 67' ' ' HIS . 11.2 ttm180 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.246 0.546 . . . . 75.03 110.133 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m -93.9 134.78 35.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 73.23 110.415 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.44 ' NE2' ' CD ' ' A' ' 65' ' ' ARG . 36.1 m80 -109.02 149.05 29.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 75.14 109.885 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -120.77 137.94 54.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.214 -0.928 . . . . 73.52 110.731 -179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 48.5 m-85 -127.18 125.86 41.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 74.31 109.592 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.457 ' HG2' ' CE2' ' A' ' 72' ' ' PHE . 5.6 ttm -141.24 147.85 38.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.002 . . . . 73.22 110.762 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' NE ' ' CE1' ' A' ' 84' ' ' HIS . 48.2 mtt180 -147.64 144.36 28.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.401 -0.812 . . . . 74.52 109.899 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -148.81 157.15 43.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -0.955 . . . . 75.11 109.94 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.561 ' CE1' HD12 ' A' ' 82' ' ' LEU . 14.5 m80 -98.5 150.11 22.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -0.883 . . . . 75.43 109.731 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' ALA . 13.8 t -124.22 138.39 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 74.4 110.46 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.66 119.7 34.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.267 -0.895 . . . . 64.25 110.243 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.531 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 53.5 p -111.15 172.99 6.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.915 . . . . 74.54 110.29 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.44 -14.37 60.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 72.32 110.276 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.65 -27.83 12.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -0.882 . . . . 75.13 110.389 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -173.91 -159.65 0.1 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.254 -0.904 . . . . 73.5 110.254 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 4.8 mt -132.41 142.49 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 63.33 109.952 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -136.89 154.68 50.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 72.51 110.758 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 73' ' ' HIS . 8.7 tt -115.1 138.16 51.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 75.3 109.616 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG22 ' CG2' ' A' ' 74' ' ' VAL . 12.3 t -104.92 138.01 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.092 -1.005 . . . . 74.32 111.213 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.79 117.89 20.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.547 -0.72 . . . . 70.42 109.547 179.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 2.6 pp -132.12 153.38 50.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.977 -1.077 . . . . 75.45 110.975 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' O ' HG12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -132.05 119.16 20.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.408 -0.807 . . . . 73.32 109.512 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -118.97 148.82 42.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.948 . . . . 74.4 110.549 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.471 ' HG2' HG23 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -134.47 143.09 47.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.38 -0.825 . . . . 74.24 110.163 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 75.13 110.098 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo . . . . . 0 N--CA 1.483 0.87 0 N-CA-C 110.126 -0.759 . . . . 75.04 110.126 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.0 p-10 -112.12 141.93 45.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -0.937 . . . . 75.14 109.975 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -72.1 131.54 42.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 75.24 110.473 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.471 HG23 ' HG2' ' A' ' 88' ' ' LYS . 2.6 pt -114.34 -19.45 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.817 . . . . 74.25 109.549 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 31.3 m-20 -147.43 129.9 15.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 75.52 109.813 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.425 ' SD ' ' CB ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -147.54 117.47 7.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.931 . . . . 75.33 110.203 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 7.6 p90 -145.23 153.36 41.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.215 -0.928 . . . . 74.42 110.272 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 74.4 t -122.88 148.91 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 74.53 110.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 125.08 53.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.96 . . . . 74.43 110.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 81' ' ' ALA . 4.3 t -123.55 129.6 24.8 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.255 -0.903 . . . . 74.12 110.174 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 20.6 Cg_endo -65.89 127.72 18.36 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.885 1.466 . . . . 72.22 110.211 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.3 -19.35 39.98 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.312 -1.515 . . . . 64.02 109.312 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -115.2 169.98 8.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -1.12 . . . . 73.23 110.049 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -93.27 143.64 26.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 72.24 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.8 133.77 55.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.216 -0.927 . . . . 74.52 110.243 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.576 ' CD2' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -118.39 128.45 54.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 74.24 109.975 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 46.6 m-85 -82.08 139.78 34.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 74.21 110.657 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.479 HD23 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -98.02 -27.46 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.323 -0.861 . . . . 74.31 109.81 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 115' ' ' LYS . 9.9 mt -123.01 -75.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.375 -0.828 . . . . 65.21 110.097 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 74.21 110.181 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 86.8 m-20 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.123 0.487 . . . . 73.42 110.249 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -55.4 -47.38 75.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 74.54 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -30.56 69.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 74.45 110.076 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -62.29 -40.34 95.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 73.21 110.003 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.18 -33.34 61.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 74.15 109.801 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.47 -44.1 97.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 73.43 110.587 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -67.21 -34.96 78.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 74.44 110.138 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.516 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -70.41 -44.48 67.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.174 -0.954 . . . . 74.41 109.768 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -32.38 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.355 -0.84 . . . . 63.11 109.877 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 5.3 m -59.42 -46.26 89.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 65.32 110.162 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -71.34 -29.72 65.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.894 . . . . 65.41 109.987 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.538 ' N ' ' HG3' ' A' ' 13' ' ' MET . 31.1 t -74.03 -46.56 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.966 . . . . 75.24 110.417 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE1' ' HA ' ' A' ' 12' ' ' SER . 12.8 pt-20 -74.22 -17.54 60.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.219 -0.926 . . . . 74.22 110.447 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -102.66 -15.48 16.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.153 -0.967 . . . . 72.33 109.991 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 113' ' ' LEU . 1.3 t30 -44.3 118.54 1.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -0.804 . . . . 73.02 110.203 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -30.92 69.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.163 -0.961 . . . . 74.14 110.162 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.57 -48.35 60.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 73.1 109.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CG1' HD11 ' A' ' 113' ' ' LEU . 25.1 mm -68.99 -31.97 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.199 -0.938 . . . . 71.14 109.717 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.517 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -49.9 -33.17 16.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 74.41 109.741 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -37.2 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 74.13 109.685 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' A' ' 23' ' ' LEU . 35.7 mt -73.25 -43.6 60.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.329 -0.857 . . . . 71.44 110.173 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 HD13 ' CG ' ' A' ' 79' ' ' LYS . 12.6 tp -83.74 -10.18 58.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.487 -0.758 . . . . 74.41 110.405 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB2' ' HD2' ' A' ' 78' ' ' LYS . 33.4 mt-30 51.4 31.83 7.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.191 -0.943 . . . . 65.22 110.375 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 11.6 p . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 72.21 109.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 74.44 109.386 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 9.8 mt -106.8 147.01 30.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 74.11 110.953 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -120.01 138.08 53.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 71.51 110.155 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -132.81 163.74 28.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.419 -0.801 . . . . 75.51 110.355 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 2.7 p90 -149.92 154.22 37.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.35 -0.843 . . . . 72.22 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.953 -1.259 . . . . 73.35 109.953 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.511 0.672 . . . . 74.23 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.96 153.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.493 -0.754 . . . . 75.34 110.708 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' HE3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -123.63 144.07 49.84 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 72.0 110.026 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.2 p -101.1 140.06 35.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 62.44 110.493 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -120.36 125.55 48.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.296 -0.878 . . . . 72.5 110.363 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 72.32 109.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB3' ' NE2' ' A' ' 67' ' ' HIS . 2.7 tpp85 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.231 0.539 . . . . 75.11 110.102 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.46 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 83.5 m -80.12 124.24 28.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 71.25 110.435 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.411 ' NE2' ' HB3' ' A' ' 65' ' ' ARG . 33.2 m170 -107.44 143.08 36.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 75.2 109.846 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -118.56 136.18 54.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.168 -0.958 . . . . 73.33 110.718 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.3 m-85 -122.03 121.09 36.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.389 -0.819 . . . . 74.43 109.946 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.498 ' HE3' ' CB ' ' A' ' 56' ' ' SER . 1.6 ttm -138.05 134.09 34.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -0.919 . . . . 71.52 110.338 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -144.78 144.65 31.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 72.34 110.146 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.406 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -149.13 152.1 35.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.24 -0.913 . . . . 73.3 110.095 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 14.3 m-70 -92.64 159.38 15.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 73.05 110.395 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.523 HG21 ' CG2' ' A' ' 83' ' ' VAL . 18.2 t -126.34 137.73 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.366 -0.834 . . . . 75.55 110.1 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 117.85 30.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 70.52 110.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.433 ' OG ' ' CD2' ' A' ' 36' ' ' LEU . 8.5 t -111.51 172.84 6.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -0.843 . . . . 74.33 110.223 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -15.44 58.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 75.33 110.223 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 25' ' ' GLN . 7.7 mttt -100.06 -27.59 13.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.872 . . . . 74.24 110.529 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -178.22 175.18 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.113 -0.992 . . . . 72.52 110.478 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.81 142.7 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 74.15 110.136 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.44 156.04 49.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 73.22 110.386 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 1.1 tt -113.24 136.9 52.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 71.5 110.014 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' CG2' HG21 ' A' ' 74' ' ' VAL . 36.2 t -116.02 132.45 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.21 -0.931 . . . . 75.25 110.649 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 43.5 t60 -130.05 131.15 45.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.4 -0.813 . . . . 74.1 109.558 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' CB ' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -140.14 149.71 43.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.981 -1.075 . . . . 74.12 111.0 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -121.52 137.65 54.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.452 -0.78 . . . . 71.14 109.35 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.48 141.41 49.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.049 -1.032 . . . . 71.42 110.956 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.44 143.87 47.8 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.361 -0.837 . . . . 73.31 109.613 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 74.05 110.234 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 N--CA 1.482 0.808 0 N-CA-C 110.466 -0.628 . . . . 73.12 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.3 155.05 51.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 72.44 110.057 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -80.93 139.15 36.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.237 -0.914 . . . . 71.04 110.514 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 2.7 pt -118.12 -18.44 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.257 -0.902 . . . . 72.11 109.633 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -143.69 129.32 19.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.839 . . . . 74.22 109.739 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.522 ' HG2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -148.6 121.71 8.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 71.41 110.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 31.0 p90 -147.8 156.94 43.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 75.31 110.093 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 83' ' ' VAL . 29.0 t -125.97 147.98 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 75.42 110.336 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.44 115.28 29.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 72.01 110.26 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.526 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 6.4 p -109.17 132.82 21.0 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 70.13 110.012 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -69.32 131.32 21.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 71.42 111.301 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.29 -21.19 13.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.346 -1.102 . . . . 54.24 110.346 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.526 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.5 mt-10 -119.87 158.91 25.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.956 -1.32 . . . . 73.42 110.431 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 149.4 46.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.181 -0.949 . . . . 75.2 109.795 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -70.06 136.21 50.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.234 -0.916 . . . . 74.33 110.38 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.79 130.58 56.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.345 -0.847 . . . . 75.3 109.911 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.55 ' CD2' ' CB ' ' A' ' 115' ' ' LYS . 20.5 p90 -85.26 143.99 28.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 75.33 110.34 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -95.89 -38.58 10.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 71.25 110.169 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' LYS . 33.0 mt -106.85 -71.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 75.44 110.244 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' CB ' ' CD2' ' A' ' 112' ' ' TYR . 10.8 tttm . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 73.33 110.248 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 12.6 m-20 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.27 0.557 . . . . 74.1 110.032 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 m -58.87 -45.01 91.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 75.43 109.643 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.461 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.1 mt-30 -70.52 -31.05 67.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 73.45 109.825 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 8.3 mt -53.87 -42.83 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 74.53 109.508 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -34.8 58.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.427 -0.796 . . . . 74.44 109.251 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 37.0 m-20 -62.28 -47.28 85.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.429 -0.795 . . . . 71.31 110.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 11.6 ptm180 -61.51 -32.3 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 74.11 110.022 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.84 -45.07 53.4 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.358 -0.839 . . . . 73.23 109.522 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.544 HG23 ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.41 -30.65 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.783 . . . . 74.51 109.675 179.594 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 t -60.13 -50.34 74.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.456 -0.778 . . . . 71.14 110.477 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 5.8 ptt? -67.41 -31.3 71.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.956 . . . . 74.43 109.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.1 t -73.0 -50.83 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 74.51 110.821 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -67.09 -29.23 68.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.189 -0.944 . . . . 71.35 110.815 -179.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 16.3 ptpt -86.84 -14.41 42.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.083 . . . . 64.35 109.854 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.494 ' ND2' HD22 ' A' ' 113' ' ' LEU . 1.8 t30 -53.78 108.59 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 73.33 110.182 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -57.36 -34.22 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 71.53 110.008 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.515 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 35.3 m-20 -60.66 -49.23 78.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 72.13 109.734 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.04 -37.13 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 64.31 109.84 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -53.16 -34.11 55.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 73.02 109.481 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.512 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.1 p -58.43 -39.2 79.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 72.13 109.421 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.95 -42.67 72.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.631 -0.668 . . . . 73.31 109.314 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -79.35 -10.44 59.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 73.34 110.107 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' ARG . 12.7 mt-30 48.39 34.8 5.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 74.31 109.916 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 71.21 110.575 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.241 0.543 . . . . 74.35 109.844 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 23.3 mt -109.44 145.69 35.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 70.44 110.529 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -115.19 131.05 57.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 73.43 109.988 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . . . -123.45 158.77 30.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 71.22 110.29 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 19.0 m-85 -134.7 158.36 44.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 63.41 110.311 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.752 -1.339 . . . . 73.31 109.752 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.547 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 15.7 mm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.217 0.532 . . . . 74.23 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.1 153.27 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 72.2 110.265 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 p -120.2 148.39 43.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -0.883 . . . . 75.53 110.343 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.6 p -101.24 136.42 41.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.351 -0.843 . . . . 73.01 110.045 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -126.77 125.26 41.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.087 -1.008 . . . . 75.3 110.746 -179.749 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 75.31 109.539 179.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.115 0.483 . . . . 74.32 109.975 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.0 m -100.8 126.23 47.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.93 . . . . 75.22 110.565 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -105.77 143.56 33.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 73.23 109.773 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -119.16 137.23 53.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 75.02 110.812 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 12.0 m-85 -124.48 120.25 31.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 75.02 109.601 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 140.56 49.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.063 -1.023 . . . . 73.13 110.718 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -149.14 143.01 25.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.368 -0.833 . . . . 73.45 110.017 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 10.2 p90 -147.57 169.65 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.223 -0.923 . . . . 73.23 110.311 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 14.5 m170 -100.94 146.41 27.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 74.22 110.37 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 83' ' ' VAL . 5.0 t -124.74 130.4 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.853 . . . . 70.12 109.385 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.26 120.05 36.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 75.41 110.735 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 1.6 m -117.01 165.81 12.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.369 -0.832 . . . . 75.22 109.897 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -13.53 58.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.14 110.16 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -97.27 -30.14 13.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 71.5 110.556 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 10.9 ptpt 174.58 169.63 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.247 -0.908 . . . . 74.24 110.295 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.8 mp -99.24 134.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 71.4 109.438 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.98 157.6 27.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.164 -0.96 . . . . 75.45 110.716 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -115.97 120.68 39.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.471 -0.768 . . . . 70.31 109.276 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 18.2 t -110.81 130.89 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 64.44 111.368 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 4.6 t60 -130.69 129.65 42.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.547 -0.72 . . . . 74.45 109.233 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 98' ' ' PHE . 2.1 pp -131.79 153.29 50.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.022 -1.049 . . . . 74.45 110.971 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -135.45 129.84 33.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.515 -0.741 . . . . 63.13 109.656 179.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . . . -128.52 153.99 46.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.159 -0.963 . . . . 74.13 110.578 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -132.75 143.17 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -0.812 . . . . 75.42 109.873 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 20.4 pt-20 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.219 -0.926 . . . . 75.1 110.357 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 37.9 Cg_endo . . . . . 0 N--CA 1.482 0.811 0 N-CA-C 110.426 -0.644 . . . . 74.42 110.426 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 0.9 OUTLIER -116.89 144.78 44.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 75.33 110.121 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 85' ' ' LEU . 55.8 m-85 -79.09 139.07 38.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 75.32 110.213 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -119.32 -18.99 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.309 -0.869 . . . . 73.11 110.495 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -140.94 128.23 21.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 65.21 110.25 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.45 ' SD ' ' HB3' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -150.46 123.01 8.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 73.41 110.347 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 15.0 p90 -147.47 156.77 43.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.079 -1.013 . . . . 72.43 110.525 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 p -119.27 140.67 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 74.05 110.224 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.47 124.09 48.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 71.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.29 126.66 28.01 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.315 -0.866 . . . . 74.45 110.029 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.7 126.91 16.15 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.849 1.447 . . . . 71.23 110.491 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 -20.51 21.1 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.644 -1.382 . . . . 63.45 109.644 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -118.98 170.32 9.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -1.141 . . . . 75.43 109.947 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.08 138.55 33.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.937 . . . . 75.42 110.286 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.5 ptm180 -66.46 143.49 57.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.866 . . . . 73.34 110.215 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -116.16 132.96 56.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.348 -0.845 . . . . 75.43 110.137 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 10.4 p90 -82.58 147.27 28.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 73.33 110.48 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.494 HD22 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.32 -44.78 5.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.414 -0.804 . . . . 71.14 110.159 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 82.9 mt -104.33 -45.91 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 73.1 110.372 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.526 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 14.0 tttp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 73.12 110.199 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.2 p30 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.195 0.521 . . . . 64.13 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.402 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 81.3 m -57.69 -43.98 85.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 75.11 109.876 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.48 -31.03 68.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.924 . . . . 71.45 109.895 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.31 -38.67 77.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.475 -0.765 . . . . 64.32 110.072 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.507 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.01 -33.89 57.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 75.44 109.73 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -57.56 -51.82 67.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 74.43 110.255 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.2 ptm85 -66.91 -36.33 82.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -0.888 . . . . 74.34 110.46 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.58 -42.57 86.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.902 . . . . 74.12 110.4 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.31 -33.86 47.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.366 -0.833 . . . . 73.41 110.426 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 1.7 t -56.49 -50.16 72.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 75.13 110.339 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.3 ptt? -69.86 -30.82 68.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 73.41 110.006 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 55.9 t -74.87 -37.32 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 74.14 110.751 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 12' ' ' SER . 22.3 pt-20 -80.0 -19.39 47.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 71.21 110.674 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 7.3 pttp -103.46 -15.98 15.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.089 -1.007 . . . . 75.33 110.382 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -49.04 115.55 1.33 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.167 -0.958 . . . . 74.45 110.29 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.9 ptpt -61.3 -27.39 68.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 74.1 110.263 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.14 -43.02 79.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 73.13 109.969 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.454 HG13 HD23 ' A' ' 113' ' ' LEU . 41.4 mm -76.29 -37.87 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.892 . . . . 64.3 110.347 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.95 -35.33 58.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.063 -1.023 . . . . 73.44 109.808 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.498 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 22.3 m -61.98 -36.67 82.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 73.35 109.562 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 mt -73.27 -39.05 65.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.358 -0.839 . . . . 74.45 109.651 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -0.82 57.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 71.03 110.265 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.6 mt-30 53.11 32.63 13.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 73.11 110.072 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 70.41 110.228 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.979 -0.749 . . . . 74.51 108.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' GLU . 14.6 mt -98.97 146.22 26.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 74.42 111.169 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -120.1 129.36 54.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.715 -0.616 . . . . 75.42 109.759 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -130.65 143.3 50.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 71.24 110.382 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.7 p90 -147.5 161.22 41.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -0.828 . . . . 75.53 109.903 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.549 -1.421 . . . . 73.2 109.549 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.508 0.67 . . . . 74.32 110.406 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -96.3 140.84 16.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.504 -0.748 . . . . 75.15 110.334 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.59 149.39 40.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 75.42 110.391 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.4 p -109.56 143.3 39.44 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.321 -0.862 . . . . 72.21 109.992 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -115.89 136.18 53.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 75.33 110.393 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 72.34 109.9 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.146 0.498 . . . . 74.44 110.048 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.484 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 51.1 m -88.54 134.66 33.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 74.41 110.442 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -108.56 149.25 29.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.871 . . . . 73.44 110.225 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.08 141.71 48.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 74.3 110.489 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 86' ' ' GLU . 57.2 m-85 -124.19 120.04 31.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 73.41 110.008 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.425 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 4.0 ttm -133.16 134.38 44.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 74.25 110.172 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -140.9 145.27 35.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 75.31 110.609 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.636 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 3.4 p90 -156.92 161.48 39.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 74.13 109.938 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 5.2 m-70 -100.7 159.41 15.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.096 -1.002 . . . . 71.43 110.45 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 83' ' ' VAL . 60.5 t -123.68 130.69 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.383 -0.823 . . . . 72.25 109.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -106.63 118.76 37.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 72.35 110.848 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 26.8 p -112.14 174.29 5.95 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.333 -0.854 . . . . 63.55 109.486 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -79.98 -18.34 50.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.134 -0.979 . . . . 75.32 109.538 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.07 -28.07 15.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 74.42 110.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.463 ' O ' ' OG ' ' A' ' 76' ' ' SER . 3.6 ttmt -179.05 -173.62 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 75.53 110.754 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.474 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 43.1 mt -115.12 145.07 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.82 . . . . 73.02 109.962 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -129.44 157.27 42.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 63.11 110.637 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 73' ' ' HIS . 3.0 tm? -112.96 128.63 56.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 63.05 109.236 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.636 ' CG1' ' CE2' ' A' ' 72' ' ' PHE . 74.0 t -115.87 126.56 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 70.14 111.33 -179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.5 t-80 -129.18 139.03 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.088 -0.708 . . . . 73.31 109.088 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 3.5 pp -148.25 153.67 39.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.919 -1.113 . . . . 75.43 111.178 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.579 ' HG3' ' CE2' ' A' ' 69' ' ' TYR . 5.2 tt0 -124.51 135.15 52.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.545 -0.722 . . . . 71.23 109.435 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -124.68 153.83 41.71 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.975 -1.078 . . . . 74.03 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD3' ' CG2' ' A' ' 99' ' ' ILE . 1.1 ptmm? -131.22 144.08 51.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.478 -0.764 . . . . 75.35 109.703 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 75.43 111.061 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 50.4 Cg_exo . . . . . 0 N--CA 1.483 0.857 0 N-CA-C 110.432 -0.641 . . . . 71.33 110.432 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.16 157.54 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.276 -0.89 . . . . 73.12 110.016 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 98' ' ' PHE . 75.4 m-85 -88.54 136.87 32.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 74.44 110.389 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.492 ' CG2' ' HD3' ' A' ' 88' ' ' LYS . 4.0 pt -117.77 -12.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 74.13 109.974 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 34.0 m120 -147.62 128.28 14.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 70.24 110.14 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' LEU . 1.8 tpt -149.88 115.21 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.339 -0.851 . . . . 64.34 109.803 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.9 p90 -147.53 151.25 36.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 75.44 110.316 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 21.9 t -119.4 148.35 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 72.32 110.223 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.33 123.0 40.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 73.34 110.358 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 108' ' ' GLU . 36.3 t -104.84 129.96 23.98 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 73.42 109.963 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.474 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.0 Cg_exo -63.11 126.79 18.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.779 1.41 . . . . 71.33 110.27 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.66 45.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.831 -1.308 . . . . 73.44 109.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -118.39 164.82 14.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 75.44 110.192 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -76.66 142.15 40.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.92 . . . . 75.21 110.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -77.21 140.62 40.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 62.44 110.738 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -121.08 127.36 51.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.804 . . . . 73.45 109.693 179.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 29.2 p90 -77.21 141.8 39.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.166 -0.959 . . . . 74.31 110.604 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -95.13 -35.82 11.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.368 -0.832 . . . . 74.15 110.184 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 101' ' ' MET . 52.2 mt -127.04 -42.98 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 75.2 110.13 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 9.4 ttmt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 74.42 110.235 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.264 0.554 . . . . 75.51 110.13 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -54.44 -44.34 72.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.173 -0.954 . . . . 73.21 109.98 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.44 -30.81 67.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 74.51 110.035 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 4.0 mp -61.79 -41.93 98.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.925 . . . . 74.21 110.09 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.542 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.79 -33.59 58.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 74.04 109.663 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -54.37 -52.05 62.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.353 -0.842 . . . . 75.05 110.052 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 2.8 ptm180 -66.85 -31.43 72.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.945 . . . . 75.41 109.79 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 13' ' ' MET . . . -64.84 -44.09 90.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 74.11 109.475 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -71.95 -35.05 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.364 -0.835 . . . . 73.33 109.291 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -52.68 -49.33 65.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.338 -0.851 . . . . 74.23 109.699 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.528 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptp -70.78 -30.95 67.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.238 -0.914 . . . . 75.14 109.353 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.523 ' N ' ' HG3' ' A' ' 13' ' ' MET . 51.5 t -71.48 -41.14 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.481 -0.762 . . . . 75.54 110.458 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -76.78 -25.19 53.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.9 . . . . 74.15 110.229 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -97.37 -18.57 19.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 73.34 110.199 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 6.5 t-20 -48.45 123.44 6.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.183 -0.948 . . . . 73.34 109.897 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -62.08 -37.91 86.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 65.02 110.591 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 3.5 m-20 -61.14 -45.35 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 73.53 110.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 20' ' ' ILE . 50.2 mm -68.92 -35.58 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 75.44 109.884 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -50.32 -39.23 45.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 75.32 109.535 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 m -67.4 -36.18 80.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.432 -0.793 . . . . 73.35 109.611 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 38.5 mt -73.85 -40.41 63.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 74.55 109.801 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -86.38 -8.3 57.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 75.22 110.252 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 23.4 mt-30 48.37 27.48 1.38 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 71.11 109.647 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.774 . . . . 65.52 110.422 -179.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.298 0.571 . . . . 75.34 109.978 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD22 ' OG ' ' A' ' 76' ' ' SER . 72.7 mt -109.69 146.39 34.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 72.45 110.498 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 137.16 51.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.369 -0.832 . . . . 75.31 109.971 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . . . -129.58 163.2 26.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 75.45 110.4 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 11.0 p90 -160.21 148.09 16.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.223 -0.923 . . . . 73.3 110.34 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.801 -1.32 . . . . 73.25 109.801 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.456 HD12 ' HA3' ' A' ' 40' ' ' GLY . 14.4 mm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.695 -0.483 . . . . 73.01 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.9 143.94 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.208 -0.933 . . . . 73.32 110.594 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.447 ' HB3' ' CE ' ' A' ' 70' ' ' MET . 0.5 OUTLIER -129.46 150.6 50.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.359 -0.838 . . . . 74.23 110.217 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 71.8 p -101.43 147.65 26.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 73.41 110.217 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.25 134.39 55.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 72.2 110.375 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 72.4 110.047 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.234 0.54 . . . . 75.11 110.123 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 7.5 m -84.1 130.36 34.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 73.14 110.317 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.55 143.41 39.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.198 -0.939 . . . . 65.44 110.13 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -117.47 145.9 43.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 74.23 110.318 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 12.3 m-85 -121.37 131.39 54.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 75.14 109.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 56' ' ' SER . 3.2 ttm -134.46 128.25 33.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.125 -0.985 . . . . 75.23 110.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 15.2 ptm180 -133.45 142.19 48.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 75.34 110.246 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -154.76 151.46 28.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 75.41 109.992 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 73' ' ' HIS . 2.1 m-70 -89.06 150.51 22.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.93 . . . . 74.51 110.375 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 40.3 t -124.12 130.68 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 74.4 109.89 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.1 120.21 40.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 75.33 110.416 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.467 ' OG ' HD22 ' A' ' 36' ' ' LEU . 44.5 m -113.19 165.54 12.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.336 -0.852 . . . . 75.24 109.953 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -70.0 -17.85 63.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.51 110.138 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 2.3 mttm -96.88 -25.56 15.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 75.02 110.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 1.8 ttmt 177.61 -167.65 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.975 . . . . 72.51 110.499 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.72 144.34 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.402 -0.811 . . . . 73.31 109.301 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.61 155.98 46.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.041 -1.037 . . . . 72.33 111.097 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 2.5 tm? -113.24 125.61 54.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.517 -0.739 . . . . 74.52 109.134 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG21 ' CG2' ' A' ' 103' ' ' VAL . 27.9 t -112.93 133.36 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.92 . . . . 74.24 111.421 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.0 t60 -128.7 130.43 47.14 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.039 -0.726 . . . . 64.33 109.039 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' HE1' ' A' ' 101' ' ' MET . 4.0 pp -137.25 148.58 46.55 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 74.25 111.106 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -119.79 134.87 55.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 64.41 109.449 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -129.33 151.34 50.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 64.24 110.895 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.521 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -128.81 144.51 51.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 75.03 109.603 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.109 -0.995 . . . . 71.22 110.702 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.0 Cg_endo . . . . . 0 N--CA 1.484 0.965 0 N-CA-C 110.427 -0.644 . . . . 74.24 110.427 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 19.0 m-20 -132.71 157.74 44.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.872 . . . . 62.44 110.322 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.43 ' C ' HD12 ' A' ' 99' ' ' ILE . 62.5 m-85 -103.62 134.47 46.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 74.13 109.785 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.521 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -116.3 -24.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 75.13 109.92 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -134.36 128.94 34.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.201 -0.937 . . . . 71.05 110.212 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.46 ' HE1' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.56 118.07 6.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 65.41 110.174 179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 12.9 p90 -147.36 157.82 43.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.959 . . . . 74.31 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 83' ' ' VAL . 54.8 t -129.07 151.21 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.199 -0.938 . . . . 75.55 110.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 110' ' ' ARG . 3.5 m-20 -101.47 115.16 29.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 73.42 110.26 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.47 HG13 ' OE2' ' A' ' 108' ' ' GLU . 2.9 t -94.04 117.43 67.16 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 74.53 109.727 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.423 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 22.6 Cg_exo -59.33 126.37 20.63 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.761 1.4 . . . . 72.31 110.811 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.14 -20.13 14.59 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.337 -1.105 . . . . 61.15 110.337 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' A' ' 105' ' ' VAL . 15.2 mt-10 -118.4 166.04 13.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.293 . . . . 75.32 110.581 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -69.89 151.05 46.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.373 -0.829 . . . . 72.21 110.581 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -74.2 141.28 45.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 74.43 110.128 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 33.6 t80 -117.07 133.2 56.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 73.14 110.192 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -89.76 143.95 26.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 75.41 110.429 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.54 -39.29 7.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 75.14 109.975 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.1 mt -119.18 -39.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 74.45 109.965 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.9 tttm . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 73.22 110.266 -179.895 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.264 0.554 . . . . 73.44 110.064 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -66.85 -34.72 78.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 74.51 109.992 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -69.75 -31.34 69.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.852 . . . . 74.41 110.102 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -62.04 -41.57 98.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.285 -0.884 . . . . 74.42 110.127 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.17 -37.0 61.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 74.13 109.658 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -56.16 -51.79 66.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 74.34 110.46 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 16.8 ptm180 -60.46 -37.66 81.72 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 71.23 110.243 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.56 -43.81 72.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.16 -0.962 . . . . 75.25 109.993 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' CG2' ' HB1' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -69.01 -31.61 51.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.359 -0.838 . . . . 73.0 110.08 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 35.1 m -59.8 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.855 . . . . 73.52 110.416 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 11.4 ptt? -72.03 -30.59 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.162 -0.961 . . . . 71.15 109.988 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.4 t -75.34 -41.44 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.28 -0.887 . . . . 73.02 110.797 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -75.09 -22.0 58.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.232 -0.918 . . . . 74.43 110.701 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -98.7 -15.88 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 63.4 110.453 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 31.8 t-20 -49.59 123.11 7.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 72.42 110.251 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -60.97 -32.86 72.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 74.23 110.202 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 3.3 m-20 -67.75 -42.48 81.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 72.33 110.584 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.503 HG23 HD13 ' A' ' 20' ' ' ILE . 48.7 mm -69.82 -34.4 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.229 -0.919 . . . . 70.11 110.33 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 ttm180 -55.79 -37.41 68.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.878 . . . . 63.55 110.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -63.73 -40.32 96.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 64.53 109.904 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD21 ' OE2' ' A' ' 108' ' ' GLU . 12.2 mt -73.07 -44.7 60.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 75.13 109.832 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -86.38 0.88 53.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.44 -0.788 . . . . 73.42 110.146 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.51 ' HB2' ' CD ' ' A' ' 78' ' ' LYS . 43.5 mt-30 56.46 31.34 18.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 73.54 109.745 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.1 t . . . . . 0 N--CA 1.486 1.335 0 O-C-N 121.335 -0.853 . . . . 72.11 110.295 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.341 -0.614 . . . . 74.43 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 76' ' ' SER . 20.1 mt -102.32 145.11 29.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 72.11 110.199 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 129.69 45.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.295 -0.878 . . . . 74.33 110.555 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB2' ' CG2' ' A' ' 74' ' ' VAL . . . -119.14 163.33 17.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.389 -0.819 . . . . 52.2 109.275 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -161.38 141.28 10.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.885 -1.134 . . . . 72.22 111.175 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.061 -1.616 . . . . 64.43 109.061 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG2' ' HE3' ' A' ' 70' ' ' MET . 48.3 mm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.289 0.566 . . . . 74.11 110.289 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.02 150.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.415 -0.803 . . . . 74.43 110.594 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -115.99 147.59 41.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.396 -0.815 . . . . 71.21 110.004 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.6 147.22 25.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.359 -0.838 . . . . 74.51 110.241 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 3.4 ptmt -136.63 128.71 29.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.898 . . . . 74.33 110.577 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 73.55 109.65 179.6 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' NH2' ' HE3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.21 0.529 . . . . 74.43 110.212 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 22.1 m -91.8 137.07 32.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 70.24 110.543 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -113.18 147.42 37.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 61.35 109.705 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 10.3 t-80 -123.33 136.92 54.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.104 -0.998 . . . . 73.52 110.827 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 73.5 m-85 -125.67 121.74 34.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.444 -0.785 . . . . 74.44 109.939 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.473 ' HE3' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -139.75 144.85 37.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 70.44 110.467 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -146.12 149.04 33.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -0.911 . . . . 74.42 110.142 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 11.5 p90 -159.31 152.08 21.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.286 -0.884 . . . . 74.44 110.205 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 1.7 m-70 -88.59 155.78 19.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 75.14 110.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 2.7 t -125.85 131.19 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 75.14 109.984 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -109.33 117.93 35.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.94 . . . . 73.21 110.338 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.477 ' HB2' HD22 ' A' ' 36' ' ' LEU . 82.4 p -110.04 170.79 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.196 -0.94 . . . . 75.15 110.351 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -70.63 -13.37 62.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.318 -0.864 . . . . 75.53 110.137 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' CD ' ' HB2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -103.35 -23.65 13.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 74.12 110.586 -179.598 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' A' ' 106' ' ' PRO . 4.3 ttmt 175.44 -169.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 73.41 110.414 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.2 141.62 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 70.34 109.83 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.69 43.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 75.41 110.581 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 20.6 tp -113.37 129.84 56.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 75.25 109.431 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG23 ' CG2' ' A' ' 74' ' ' VAL . 58.5 t -110.45 133.35 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 65.52 111.067 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . 6.2 m80 -129.2 120.38 25.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 75.44 109.344 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 98' ' ' PHE . 2.2 pp -130.67 152.03 50.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.035 -1.04 . . . . 74.15 110.996 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -127.92 123.35 34.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.455 -0.778 . . . . 72.32 109.468 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.67 150.8 42.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.027 -1.045 . . . . 74.31 111.266 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HE3' ' NH2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -134.74 145.28 48.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.691 -0.631 . . . . 72.43 109.357 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 15.1 pt-20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.07 -1.019 . . . . 74.33 110.236 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 19.0 Cg_endo . . . . . 0 N--CA 1.482 0.846 0 N-CA-C 110.044 -0.791 . . . . 74.23 110.044 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 137.84 51.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 73.23 110.322 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 85' ' ' LEU . 77.0 m-85 -83.16 138.66 33.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 75.42 109.814 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.92 -17.28 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.086 -1.009 . . . . 71.45 110.519 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -153.53 129.26 10.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.942 . . . . 75.33 110.117 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.486 ' HE1' ' CD2' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.22 123.79 9.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 75.32 110.197 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 84' ' ' HIS . 34.8 p90 -147.41 154.5 40.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -0.922 . . . . 74.3 110.466 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 93.3 t -123.52 147.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 64.42 110.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -107.16 115.15 29.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.173 -0.955 . . . . 64.45 110.167 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 108' ' ' GLU . 21.9 t -101.63 129.24 27.13 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.878 . . . . 72.23 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 19.6 Cg_endo -64.39 126.15 16.41 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.892 1.469 . . . . 75.03 110.208 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.43 -18.11 20.58 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.087 -1.205 . . . . 61.54 110.087 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.44 ' OE2' HD21 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -118.77 170.07 9.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.244 . . . . 71.33 110.565 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -83.42 143.27 30.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 73.14 110.208 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.6 ptt180 -66.73 135.9 54.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 63.23 110.459 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.15 132.22 53.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.889 . . . . 72.12 109.996 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 18.9 p90 -87.2 131.18 34.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -0.896 . . . . 63.14 110.429 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' CB ' ' HG2' ' A' ' 101' ' ' MET . 0.1 OUTLIER -82.87 -41.24 19.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 70.54 109.682 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 65.4 mt -111.79 -82.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.805 . . . . 72.22 109.977 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 1.3 ttpt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 74.42 110.22 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.233 0.54 . . . . 64.13 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.6 m -58.11 -49.68 76.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 75.11 109.962 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.01 -30.52 35.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 71.45 109.908 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -41.93 99.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 64.32 110.023 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.57 -33.48 58.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.284 -0.885 . . . . 75.44 109.763 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -54.86 -45.93 74.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 74.43 110.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 12.5 ptm180 -74.12 -33.61 63.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 74.34 110.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.55 -43.52 72.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 74.12 109.832 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.517 ' CG2' ' HB1' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.23 -33.86 66.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.188 -0.945 . . . . 73.41 109.956 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 6.5 t -65.79 -43.65 88.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 75.13 110.403 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.8 ptp -70.31 -31.72 69.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 73.41 110.189 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.512 ' N ' ' HG3' ' A' ' 13' ' ' MET . 27.3 t -75.22 -47.12 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.192 -0.942 . . . . 74.14 110.613 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 12' ' ' SER . 1.6 pp20? -62.47 -27.22 68.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.22 -0.925 . . . . 71.21 110.332 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -94.26 -17.02 23.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.093 -1.004 . . . . 75.33 110.041 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -48.84 115.72 1.37 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.857 . . . . 74.45 110.243 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -58.8 -29.38 66.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.896 . . . . 74.1 109.945 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -67.88 -48.48 65.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 73.13 109.911 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 HG13 ' CD1' ' A' ' 113' ' ' LEU . 22.7 mm -70.31 -37.76 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 64.3 109.829 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' GLN . 16.5 ttm180 -51.12 -35.43 35.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 73.44 109.814 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -61.65 -40.98 96.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 73.35 109.965 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.54 -35.61 65.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.311 -0.868 . . . . 74.45 109.812 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -95.51 0.99 53.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.559 -0.713 . . . . 71.03 110.925 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . 45.7 mt-30 51.46 36.02 15.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 73.11 109.534 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . 10.0 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.388 -0.82 . . . . 70.41 110.439 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.36 0.6 . . . . 74.51 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 15' ' ' GLU . 13.3 mt -108.41 146.46 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.871 . . . . 74.42 110.34 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -116.29 132.61 56.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 75.42 110.264 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HB1' ' CG2' ' A' ' 11' ' ' VAL . . . -142.17 152.36 43.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 71.24 110.158 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.74 168.93 25.93 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 75.53 110.303 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.819 -1.312 . . . . 73.2 109.819 -179.694 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.8 mm . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.402 -0.592 . . . . 74.32 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.0 p -95.26 145.45 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.901 -1.124 . . . . 75.15 110.844 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.61 150.3 51.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.75 -0.594 . . . . 75.42 110.04 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 16.6 p -110.67 147.78 33.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.855 . . . . 72.21 110.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 2.0 ptmt -129.35 131.78 46.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.906 . . . . 75.33 110.297 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.374 -0.829 . . . . 72.34 110.132 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' HG2' ' HE2' ' A' ' 88' ' ' LYS . 2.2 ttp180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.313 0.578 . . . . 74.44 110.207 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 99.2 m -76.55 134.86 39.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 74.41 110.245 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.6 m170 -109.38 147.95 31.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.295 -0.878 . . . . 73.44 110.095 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 57' ' ' THR . 11.8 m-70 -123.67 136.99 54.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 74.3 110.447 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 29.9 m-85 -123.35 124.61 43.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.899 . . . . 73.41 110.02 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 tpp -143.65 145.42 32.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.892 . . . . 74.25 110.342 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -150.34 152.11 33.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 75.31 110.252 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 2.5 p90 -153.94 152.94 31.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.264 -0.898 . . . . 74.13 110.104 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 82' ' ' LEU . 10.9 m-70 -93.04 158.67 15.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 71.43 110.505 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 30.6 t -128.45 130.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 72.25 109.752 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -104.47 123.62 47.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 72.35 110.684 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.449 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 18.8 t -117.01 168.94 9.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.431 -0.793 . . . . 63.55 109.914 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.88 -13.58 60.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 75.32 110.429 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.87 -28.21 12.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 74.42 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 2.6 ptpt -178.22 -175.23 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.145 -0.972 . . . . 75.53 110.312 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 8.6 mt -114.75 143.83 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 73.02 110.046 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.93 156.09 46.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 63.11 110.662 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 73' ' ' HIS . 1.4 tt -119.11 125.35 49.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.444 -0.785 . . . . 63.05 109.713 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 93.8 t -111.7 133.68 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.351 -0.843 . . . . 70.14 111.159 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 71' ' ' ARG . 2.8 t-80 -130.64 128.49 41.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.534 -0.728 . . . . 73.31 109.626 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.8 pp -129.91 153.09 48.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 75.43 110.934 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.42 130.21 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -0.788 . . . . 71.23 109.753 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -127.36 142.1 51.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 74.03 110.581 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -129.79 144.61 51.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 75.35 110.535 -179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.87 . . . . 75.43 109.783 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 24.7 Cg_exo . . . . . 0 N--CA 1.484 0.969 0 N-CA-C 110.07 -0.781 . . . . 71.33 110.07 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.22 133.93 54.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 73.12 110.491 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.65 130.32 45.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.355 -0.84 . . . . 74.44 110.223 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 pt -118.6 -14.02 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 74.13 110.075 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -154.78 129.7 9.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.31 -0.869 . . . . 70.24 109.853 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -148.53 121.13 8.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 64.34 110.623 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 53.5 p90 -147.43 152.47 38.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.23 -0.919 . . . . 75.44 110.376 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 82' ' ' LEU . 13.8 p -119.22 148.04 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 72.32 110.029 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -112.1 124.94 53.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 73.34 110.372 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.419 HG11 ' HD2' ' A' ' 79' ' ' LYS . 85.6 t -109.11 126.93 28.22 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 73.42 109.892 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' CD ' ' O ' ' A' ' 80' ' ' ILE . 38.9 Cg_exo -55.78 126.46 22.52 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.883 1.465 . . . . 71.33 110.552 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.08 -19.98 18.86 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.189 -1.164 . . . . 73.44 110.189 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 170.0 9.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.954 -1.321 . . . . 75.44 110.713 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -81.34 149.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.88 . . . . 75.21 110.103 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 16.4 ptp180 -71.24 143.91 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 62.44 110.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 15.7 t80 -111.47 132.97 54.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.249 -0.907 . . . . 73.45 110.259 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.497 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.5 p90 -84.3 129.81 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -0.913 . . . . 74.31 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.438 HD21 HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -88.17 -33.95 18.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -0.906 . . . . 74.15 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.7 mt -111.69 -52.77 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 75.2 110.135 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 74.42 110.273 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.445 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 2.1 p30 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.222 0.534 . . . . 74.05 110.073 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 20.9 m -68.74 -34.07 74.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.882 . . . . 72.24 109.845 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.44 -37.59 83.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 73.43 110.04 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -42.28 76.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 74.24 110.165 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.38 -33.23 58.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.291 -0.881 . . . . 75.24 109.922 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.28 -49.75 75.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 72.31 110.678 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -68.21 -33.42 74.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.136 -0.978 . . . . 74.21 110.588 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.12 -42.27 76.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.165 -0.959 . . . . 70.02 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -72.62 -31.2 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 73.31 109.977 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.512 ' N ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -53.89 -48.63 69.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.257 -0.902 . . . . 75.13 110.062 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.1 ptm -71.71 -30.6 65.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 74.53 109.794 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' N ' ' HG3' ' A' ' 13' ' ' MET . 20.1 t -72.49 -39.54 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.432 -0.793 . . . . 71.23 110.87 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -80.45 -20.76 43.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.168 -0.957 . . . . 74.33 110.772 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -96.62 -15.72 21.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.086 -1.009 . . . . 75.21 110.525 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.9 t30 -47.02 124.23 6.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.198 -0.939 . . . . 71.34 110.248 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.5 mmtm -66.04 -35.34 80.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.16 -0.962 . . . . 72.32 110.145 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -66.73 -45.26 79.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.244 -0.91 . . . . 74.44 110.0 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 50.4 mm -67.16 -32.54 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 72.32 110.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -57.58 -33.19 67.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.225 -0.922 . . . . 73.45 109.81 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.549 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -64.95 -40.85 95.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.323 -0.861 . . . . 72.15 109.842 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . 38.7 mt -73.5 -37.11 65.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 75.44 109.428 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' SG ' ' A' ' 26' ' ' CYS . 14.3 tp -84.39 -0.96 54.67 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 75.21 110.264 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 50.95 31.5 6.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 73.32 110.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CD2' ' A' ' 24' ' ' LEU . 18.5 m . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 65.51 110.401 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.293 0.568 . . . . 73.32 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' ' 26' ' ' CYS . 16.6 mt -107.35 146.52 31.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 74.1 110.555 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 140.78 51.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.378 -0.826 . . . . 75.3 110.245 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -130.09 164.22 24.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 70.45 110.144 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.6 p90 -156.59 165.71 35.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.253 -0.904 . . . . 74.22 110.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.641 -1.383 . . . . 72.34 109.641 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 ' HB ' ' OD1' ' A' ' 3' ' ' ASP . 20.2 mm . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.281 0.563 . . . . 64.12 110.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.2 t -96.58 139.17 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.857 . . . . 74.53 110.09 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -123.49 149.32 45.3 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.268 -0.895 . . . . 74.42 110.248 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 43.5 p -107.38 139.22 42.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.296 -0.878 . . . . 70.15 110.198 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -126.13 127.02 45.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 73.31 110.202 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 75.22 109.874 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 89' ' ' GLU . 10.2 ttm180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.229 0.538 . . . . 75.34 110.03 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.422 ' CG2' ' HB2' ' A' ' 58' ' ' LYS . 70.8 m -76.5 131.61 39.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 74.35 110.585 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.3 m170 -105.93 142.82 34.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.325 -0.859 . . . . 70.41 109.801 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.4 m-70 -116.83 137.21 52.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 73.42 110.452 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 18.5 m-85 -123.73 127.6 48.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 70.33 110.147 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.16 129.31 31.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 75.31 110.32 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.68 144.45 41.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -0.959 . . . . 74.25 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.2 p90 -153.33 159.67 42.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 65.42 109.865 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.555 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 7.8 m-70 -98.01 157.52 16.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 71.01 110.759 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG22 ' CG2' ' A' ' 83' ' ' VAL . 78.6 t -123.92 140.43 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.471 -0.768 . . . . 74.23 109.488 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.96 126.99 53.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.031 -1.043 . . . . 74.44 110.777 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.93 177.08 4.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 73.42 109.752 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -79.72 -13.48 59.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 75.24 110.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -24.24 11.95 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.113 -0.992 . . . . 74.02 110.676 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -175.84 -160.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.03 -1.044 . . . . 74.42 110.552 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.91 133.59 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 74.42 109.95 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.92 157.54 25.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.121 -0.987 . . . . 75.24 110.507 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' NE2' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -112.92 136.73 52.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 71.23 109.513 179.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 73.2 t -110.94 135.48 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.193 -0.942 . . . . 72.23 110.735 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.606 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 10.6 m-70 -129.38 117.77 21.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.391 -0.818 . . . . 73.4 109.909 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.499 ' HB3' ' CE ' ' A' ' 101' ' ' MET . 3.8 pp -129.36 152.62 48.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 74.2 110.252 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 tt0 -131.49 132.04 43.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 73.22 110.258 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.0 147.68 50.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 75.21 109.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 99' ' ' ILE . 1.5 ptmm? -134.29 144.23 48.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.153 -0.967 . . . . 73.43 110.574 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.444 -0.785 . . . . 64.02 110.117 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 110.434 -0.641 . . . . 74.1 110.434 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -111.54 128.77 56.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 64.42 109.87 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -58.66 123.88 17.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.98 . . . . 72.1 110.021 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.46 HG21 ' HG2' ' A' ' 88' ' ' LYS . 6.3 pt -111.93 -14.98 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 75.33 110.159 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 71.2 m-80 -149.05 128.9 13.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 72.44 109.931 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.533 ' HB3' ' CG1' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -149.62 119.66 7.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 74.13 110.608 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 49.7 p90 -147.52 163.87 35.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 75.43 109.952 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 80.7 t -127.1 151.61 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 75.34 110.475 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -109.55 118.3 36.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.483 -0.761 . . . . 72.23 110.126 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.73 127.68 26.56 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 74.22 110.179 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.37 131.16 18.49 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.883 1.465 . . . . 73.22 110.534 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.84 -19.57 28.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.035 -1.226 . . . . 70.33 110.035 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -117.14 168.46 10.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.034 -1.274 . . . . 74.23 110.453 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.4 135.05 36.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 75.41 110.076 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -55.46 133.73 50.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.91 . . . . 72.51 110.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.523 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.2 t80 -119.97 111.57 18.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 73.04 110.096 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 43.4 p90 -75.94 144.44 41.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.111 -0.993 . . . . 73.25 110.195 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.453 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -94.4 -48.23 6.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.942 . . . . 75.22 110.523 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.533 ' CG1' ' HB3' ' A' ' 101' ' ' MET . 91.9 mt -101.45 -73.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 74.45 110.299 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' CB ' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.127 -0.983 . . . . 72.1 110.211 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.29 0.567 . . . . 73.42 110.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -55.9 -46.83 78.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 74.41 110.238 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 37.5 mt-30 -60.92 -35.57 77.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.312 -0.867 . . . . 72.43 109.934 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.85 -46.11 71.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.399 -0.813 . . . . 72.31 109.89 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.41 -33.17 64.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.35 -0.844 . . . . 74.41 109.608 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' SER . 31.3 m-20 -53.61 -48.83 68.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 72.25 110.375 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.7 ptm180 -72.09 -33.35 67.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 75.41 110.351 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.37 -45.98 61.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 73.14 109.545 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.21 -32.99 49.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.387 -0.821 . . . . 70.2 109.921 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 30.5 t -59.4 -50.64 73.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 73.2 110.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 15.1 ptp -65.23 -31.59 72.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 74.43 109.854 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' ' HE1' ' A' ' 101' ' ' MET . 40.9 t -74.06 -51.71 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 73.32 110.344 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 23.3 pt-20 -62.55 -21.46 65.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 75.22 110.117 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -102.22 -14.38 17.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 73.33 109.838 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 1.7 t30 -42.0 128.68 3.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.406 -0.809 . . . . 74.11 110.527 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -66.46 -45.05 81.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 74.23 109.764 179.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.16 92.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.739 -0.601 . . . . 71.24 110.359 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 HG22 ' A' ' 20' ' ' ILE . 48.2 mm -72.32 -32.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.932 . . . . 74.2 109.878 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 2.1 ttt-85 -51.14 -37.78 48.2 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.911 . . . . 73.04 109.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -29.51 67.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.402 -0.811 . . . . 72.25 109.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 51.3 mt -73.4 -45.14 56.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 73.33 109.454 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 1.2 mm? -87.4 -9.73 53.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.448 -0.783 . . . . 74.14 110.0 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 37.3 mt-30 57.57 31.6 20.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.262 -0.899 . . . . 75.43 110.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 75.42 110.22 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.279 0.561 . . . . 74.43 110.082 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 76' ' ' SER . 10.7 mt -110.09 147.25 33.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 74.3 110.859 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -114.88 134.72 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 64.14 110.307 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 74' ' ' VAL . . . -140.08 160.21 40.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 71.24 110.232 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 8.0 p90 -150.81 171.68 16.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 73.21 110.245 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 109.735 -1.346 . . . . 73.35 109.735 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 54' ' ' ILE . 23.9 mm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.367 0.603 . . . . 72.55 110.432 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -114.76 149.73 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.338 -0.851 . . . . 74.33 109.937 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.6 144.43 50.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.244 -0.91 . . . . 73.3 110.385 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -103.5 141.93 35.15 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.257 -0.902 . . . . 65.44 110.368 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -131.39 125.99 34.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 75.12 110.182 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 65.31 110.182 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.196 0.522 . . . . 73.32 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 18.2 m -81.48 134.21 35.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.258 -0.901 . . . . 73.23 110.71 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.13 142.38 47.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.462 -0.774 . . . . 74.21 109.606 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 7.8 t-80 -128.53 138.83 52.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.081 -1.012 . . . . 64.11 110.75 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' OH ' ' ND1' ' A' ' 67' ' ' HIS . 91.4 m-85 -123.08 126.14 46.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.437 -0.79 . . . . 62.22 109.503 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.469 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -137.19 135.12 37.01 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.011 -1.055 . . . . 74.35 110.682 -179.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.492 ' HD3' ' CE1' ' A' ' 84' ' ' HIS . 1.8 ptt180 -144.57 152.28 40.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.388 -0.82 . . . . 75.01 109.71 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.5 p90 -156.55 164.47 38.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.042 -1.036 . . . . 74.25 110.28 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.99 147.81 27.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.85 . . . . 75.34 110.52 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 83' ' ' VAL . 66.5 t -125.37 131.13 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 74.31 109.567 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG2' HG13 ' A' ' 80' ' ' ILE . 1.5 tt0 -108.53 132.53 53.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.114 -0.992 . . . . 70.3 110.824 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 36' ' ' LEU . 1.5 m -116.49 171.71 7.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.327 -0.858 . . . . 74.32 109.813 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -73.92 -15.81 61.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.082 -1.011 . . . . 74.2 110.246 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -103.86 -29.44 10.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -0.95 . . . . 74.34 110.342 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 2.4 mtmt -170.67 -170.89 0.96 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.325 -0.859 . . . . 75.42 110.326 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 80' ' ' ILE . 5.2 mp -125.86 143.38 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.88 . . . . 75.13 110.051 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.23 155.18 47.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 55.15 110.513 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 15.2 tp -113.33 133.87 54.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 62.12 109.642 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.538 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 20.9 t -106.49 136.18 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.082 -1.011 . . . . 75.52 110.858 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.07 120.14 24.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.522 -0.737 . . . . 74.01 109.65 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.28 154.0 50.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.051 -1.031 . . . . 71.45 110.859 -179.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.32 136.04 49.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.433 -0.792 . . . . 75.04 109.721 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -129.55 133.17 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.059 -1.026 . . . . 74.22 110.501 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 10.2 ptmt -134.53 143.77 47.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 72.33 110.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 74.3 110.395 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.48 0.678 0 N-CA-C 110.423 -0.645 . . . . 73.23 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.59 138.3 38.77 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.28 -0.887 . . . . 73.32 110.091 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -62.31 132.47 52.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.371 -0.83 . . . . 75.11 110.274 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.462 HD12 ' HG2' ' A' ' 88' ' ' LYS . 1.6 pt -118.41 -15.52 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.233 -0.917 . . . . 73.44 109.976 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -150.78 131.15 13.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 75.44 109.797 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.526 ' HE3' ' CG1' ' A' ' 83' ' ' VAL . 1.8 tpt -148.54 118.84 7.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.133 -0.979 . . . . 75.14 110.672 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 15.0 p90 -148.6 157.6 43.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 72.52 110.134 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 104' ' ' ASP . 80.9 t -121.6 155.38 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.197 -0.939 . . . . 75.43 110.214 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.504 ' N ' HG12 ' A' ' 103' ' ' VAL . 5.6 t0 -123.99 121.26 34.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 65.14 110.463 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 108' ' ' GLU . 2.6 p -118.7 128.73 25.8 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 71.32 109.881 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -62.73 130.89 31.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 123.872 1.459 . . . . 73.43 111.025 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.82 -17.08 33.13 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.426 -1.07 . . . . 73.02 110.426 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.468 ' HB3' HG12 ' A' ' 105' ' ' VAL . 2.0 mm-40 -118.18 164.11 15.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.011 -1.288 . . . . 75.13 110.609 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 120.63 25.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.848 . . . . 70.03 110.168 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 2.5 ptm180 -55.44 139.84 42.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.237 -0.914 . . . . 74.33 110.024 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.444 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -117.13 132.96 56.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 74.01 110.145 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 21.7 p90 -80.94 137.9 36.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 72.53 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.501 ' CB ' ' HG3' ' A' ' 101' ' ' MET . 0.2 OUTLIER -90.86 -36.84 13.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 73.22 109.97 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.6 mt -123.32 -43.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.169 -0.957 . . . . 70.43 110.178 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.54 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 74.01 110.213 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.247 0.546 . . . . 75.51 109.997 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -59.63 -51.76 68.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 73.21 109.918 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -52.66 -33.1 45.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 74.51 109.809 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.38 83.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 74.21 109.831 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.99 -33.39 57.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.36 -0.837 . . . . 74.04 109.66 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.22 -47.91 83.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 75.05 110.643 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.6 ptm180 -69.26 -32.59 71.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.126 -0.984 . . . . 75.41 110.467 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.33 -41.83 69.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 74.11 110.019 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.585 ' CG2' ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.0 -30.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.289 -0.882 . . . . 73.33 109.911 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.14 -49.27 78.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 74.23 110.252 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 16.8 ptt? -69.19 -31.21 69.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 75.14 109.825 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.3 t -72.53 -41.59 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.382 -0.823 . . . . 75.54 110.438 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 12' ' ' SER . 11.2 pt-20 -73.03 -19.96 61.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.164 -0.96 . . . . 74.15 110.393 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 13' ' ' MET . 15.8 ptmt -105.98 -14.09 15.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.122 -0.986 . . . . 73.34 109.838 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.6 t-20 -46.69 131.0 11.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.815 . . . . 73.34 110.523 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 34.1 mtpt -66.53 -44.88 81.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.28 -0.887 . . . . 65.02 110.044 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 23.6 m-20 -55.78 -44.07 77.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 73.53 110.14 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -73.72 -32.82 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.291 -0.88 . . . . 75.44 110.269 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.613 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -50.6 -32.11 17.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 75.32 109.91 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.613 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.1 m -68.91 -37.88 79.23 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.463 -0.773 . . . . 73.35 109.747 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 9.8 mt -73.64 -41.7 62.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 74.55 110.119 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 36' ' ' LEU . 1.1 mt -83.71 -7.7 59.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 75.22 110.4 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.8 31.52 3.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 71.11 110.007 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 65.52 110.065 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.39 0.614 . . . . 75.34 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.538 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 11.6 mt -96.25 146.79 24.4 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.866 . . . . 72.45 110.196 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.44 137.18 54.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.566 -0.709 . . . . 75.31 110.551 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -124.73 161.55 26.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.467 -0.77 . . . . 75.45 109.885 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -160.31 162.79 33.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.965 . . . . 73.3 110.502 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.676 -1.37 . . . . 73.25 109.676 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.489 HG23 ' CE ' ' A' ' 70' ' ' MET . 17.2 mm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.455 0.645 . . . . 73.01 110.452 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 56' ' ' SER . 58.9 t -96.75 152.98 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.469 -0.769 . . . . 73.32 109.709 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 3.9 p -129.93 147.37 51.68 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.058 -1.026 . . . . 74.23 110.621 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 65.1 p -99.98 133.79 43.84 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.457 -0.777 . . . . 73.41 109.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -118.45 124.41 47.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 72.2 110.42 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 72.4 109.626 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' NH1' ' HD2' ' A' ' 88' ' ' LYS . 8.7 ttm180 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.247 0.546 . . . . 75.11 110.121 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -96.4 140.15 31.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.255 -0.903 . . . . 73.14 110.764 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -113.55 148.96 35.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.421 -0.799 . . . . 65.44 109.571 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 t-160 -124.14 140.52 52.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.148 -0.97 . . . . 74.23 110.789 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 59' ' ' LYS . 95.8 m-85 -120.73 120.18 34.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.427 -0.795 . . . . 75.14 109.9 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.499 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -135.47 142.78 45.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 75.23 110.368 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -149.97 148.24 28.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -0.869 . . . . 75.34 110.495 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 7.9 p90 -148.97 152.52 36.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.297 -0.877 . . . . 75.41 109.99 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.498 ' CD2' HD13 ' A' ' 82' ' ' LEU . 19.5 m80 -87.67 153.16 21.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 74.51 110.633 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 HG22 ' A' ' 83' ' ' VAL . 59.7 t -123.77 132.01 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.45 -0.781 . . . . 74.4 109.668 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.36 119.18 34.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.085 -1.009 . . . . 75.33 110.633 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.538 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 82.8 p -111.31 168.41 9.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.333 -0.855 . . . . 75.24 109.982 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -72.14 -13.94 61.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.905 . . . . 72.51 110.268 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -100.01 -28.65 12.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 75.02 110.512 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -175.69 -157.56 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.098 -1.001 . . . . 72.51 110.2 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 mt -135.31 144.6 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.394 -0.816 . . . . 73.31 109.928 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -134.51 157.73 45.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.167 -0.958 . . . . 72.33 110.745 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' A' ' 73' ' ' HIS . 12.1 tp -116.99 127.5 54.25 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 74.52 109.493 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 24.2 t -106.94 131.53 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.157 -0.964 . . . . 74.24 110.951 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -123.76 122.79 38.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.526 -0.734 . . . . 64.33 109.258 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.8 pp -134.2 149.7 51.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.993 -1.067 . . . . 74.25 111.167 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.33 134.33 52.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.586 -0.696 . . . . 64.41 109.247 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.01 152.26 33.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.961 -1.087 . . . . 64.24 110.724 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.479 ' HD2' ' NH1' ' A' ' 65' ' ' ARG . 22.5 ttpt -128.67 141.02 51.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.405 -0.809 . . . . 75.03 109.874 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 2.2 pp20? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 71.22 110.382 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 N--CA 1.482 0.846 0 N-CA-C 110.516 -0.609 . . . . 74.24 110.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.5 137.34 47.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 62.44 109.998 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -60.66 135.6 57.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 74.13 110.291 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.47 HD12 HG22 ' A' ' 99' ' ' ILE . 5.1 pt -118.26 -14.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 75.13 109.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 26.4 m120 -156.84 129.79 7.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.422 -0.799 . . . . 71.05 109.738 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.458 ' HE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.24 124.41 10.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.165 -0.959 . . . . 65.41 110.534 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.584 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 13.8 p90 -147.41 150.89 35.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.359 -0.838 . . . . 74.31 109.997 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 110' ' ' ARG . 14.5 p -119.4 144.46 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.997 . . . . 75.55 110.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.46 126.54 53.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.233 -0.917 . . . . 73.42 110.476 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -121.26 124.18 27.42 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.255 -0.903 . . . . 74.53 110.182 179.818 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.67 126.99 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.874 1.46 . . . . 72.31 110.323 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.99 -20.16 26.55 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.787 -1.325 . . . . 61.15 109.787 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 3.3 mt-10 -118.69 159.34 23.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.236 . . . . 75.32 110.2 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -79.26 146.35 33.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 72.21 109.932 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 23.0 ptt180 -62.67 138.14 58.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 74.43 110.452 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.1 t80 -109.44 133.36 53.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 73.14 110.065 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 115' ' ' LYS . 3.1 p90 -82.52 144.38 30.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 75.41 110.231 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.435 HD21 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -101.4 -28.62 12.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 75.14 110.102 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' LYS . 14.0 mt -125.02 -67.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.386 -0.821 . . . . 74.45 110.236 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.33 -0.856 . . . . 73.22 110.151 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.49 -1.444 . . . . 73.25 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -69.02 -28.78 66.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -1.127 . . . . 72.13 110.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.28 -45.74 87.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.948 . . . . 74.43 110.12 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 m -56.45 -50.35 71.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 74.42 110.057 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -56.25 -34.65 66.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.858 . . . . 72.01 109.881 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -46.31 71.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.294 -0.879 . . . . 73.32 109.848 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -35.03 58.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 74.43 109.932 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -56.62 -51.25 69.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 73.22 110.488 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -67.84 -31.27 70.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 74.52 110.447 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 13' ' ' MET . . . -69.3 -43.25 74.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 64.42 110.046 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG2' ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -35.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.199 -0.938 . . . . 75.51 109.823 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.7 t -58.03 -51.68 68.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 65.23 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.479 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 25.4 ptm -64.59 -31.94 73.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.381 -0.824 . . . . 63.44 110.082 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG21 HD22 ' A' ' 113' ' ' LEU . 37.6 t -75.37 -39.06 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.775 . . . . 71.31 111.338 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' SER . 15.6 pt-20 -78.23 -22.32 48.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.992 -1.068 . . . . 75.52 110.979 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -89.9 -15.93 31.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.923 -1.11 . . . . 75.21 109.821 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 36.0 t-20 -56.25 125.62 22.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 75.12 110.504 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -32.82 74.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 74.44 110.072 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 1.3 m-20 -59.52 -50.07 75.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.211 -0.931 . . . . 74.12 109.813 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -71.4 -32.54 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.237 -0.914 . . . . 72.54 109.578 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 24.5 ttp180 -53.24 -33.56 53.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.459 -0.775 . . . . 65.03 109.86 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -39.57 78.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 64.43 110.277 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.93 -45.45 89.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 71.23 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD21 ' N ' ' A' ' 24' ' ' LEU . 2.1 mm? -76.63 1.8 15.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 74.32 110.211 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 54.89 29.56 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 73.55 109.834 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 4.6 m -58.56 -172.98 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.518 -0.739 . . . . 71.31 110.294 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -152.26 -169.74 3.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.241 -0.912 . . . . 62.14 110.308 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 2.1 m-20 175.68 94.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.403 -0.811 . . . . 73.34 110.126 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.79 176.67 20.5 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.669 -1.372 . . . . 73.31 109.669 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 tt -74.17 -21.23 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -1.133 . . . . 75.4 110.113 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 t -85.02 -23.57 28.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.355 -0.84 . . . . 75.2 110.516 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -179.68 136.6 2.82 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.855 -1.298 . . . . 74.31 109.855 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -119.58 145.58 46.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -1.073 . . . . 73.3 109.807 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -79.09 142.31 36.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.158 -0.964 . . . . 71.53 110.542 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 132.4 51.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.326 -0.859 . . . . 71.1 109.654 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 15.4 mt -109.92 146.05 35.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.081 -1.012 . . . . 72.2 111.338 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 147.22 52.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.061 -0.718 . . . . 75.45 109.061 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -138.05 162.83 33.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.982 -1.074 . . . . 64.33 111.095 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -148.79 172.26 14.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.654 -0.654 . . . . 74.43 109.535 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -56.36 -116.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.18 -1.168 . . . . 73.13 110.18 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' OE1' ' NH1' ' A' ' 71' ' ' ARG . 27.3 mt-10 -110.37 -137.83 0.37 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.245 . . . . 75.12 110.027 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' HG21 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -49.01 138.88 11.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 73.31 110.463 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG21 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -149.39 167.55 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.444 -0.785 . . . . 62.23 110.069 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 t -164.69 32.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.18 -0.95 . . . . 73.45 110.34 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 1.2 t30 -149.52 -156.83 0.76 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.313 -0.867 . . . . 74.34 110.294 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.73 143.98 32.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 70.33 110.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 55.13 -163.38 0.13 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 72.22 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 48' ' ' TRP . 3.5 p90 -101.1 -5.13 26.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.371 -0.83 . . . . 74.03 110.12 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' TRP . 68.6 p -40.49 -39.39 1.01 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 73.42 110.68 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -171.72 94.09 0.15 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.159 -0.963 . . . . 70.54 110.361 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 48' ' ' TRP . 3.3 p-10 -162.06 -170.2 2.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.333 -0.855 . . . . 74.0 110.057 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 123.3 69.4 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 74.24 110.19 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -68.03 160.12 49.99 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.974 1.513 . . . . 75.05 110.374 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.536 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 34.3 mm -80.98 136.52 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.826 . . . . 73.53 109.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 55' ' ' VAL . 9.8 p -97.0 148.07 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.835 . . . . 74.12 110.381 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.533 ' CB ' ' NE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -127.74 151.43 49.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 74.13 110.081 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -114.61 145.14 42.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.332 -0.855 . . . . 71.5 110.649 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -136.7 127.33 27.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.925 . . . . 73.03 110.037 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 141.24 33.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 72.11 110.086 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -101.97 146.39 27.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.066 -1.021 . . . . 75.14 110.371 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 -168.46 2.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 63.32 110.278 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -63.29 -28.71 70.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 74.43 110.103 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -9.36 59.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 72.13 110.328 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.48 5.81 61.52 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.677 -1.369 . . . . 63.23 109.677 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 8.4 ttt180 -75.05 121.25 21.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 74.15 109.889 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -81.09 132.53 35.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 71.41 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -113.86 148.75 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 75.43 109.791 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.533 ' NE2' ' CB ' ' A' ' 56' ' ' SER . 3.2 t-160 -117.49 142.92 46.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 75.22 110.393 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 41.2 m-85 -127.15 122.22 33.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -0.79 . . . . 64.23 109.808 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.42 ' HE1' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -129.24 130.35 46.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 73.3 110.468 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 ptt85 -129.96 140.46 50.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 74.45 110.014 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.3 p90 -150.92 169.5 21.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.293 -0.88 . . . . 74.54 110.002 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -111.43 155.62 22.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 74.31 110.522 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 41.5 t -124.11 139.8 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 73.11 109.671 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HG3' HG12 ' A' ' 80' ' ' ILE . 3.3 tt0 -115.91 120.13 38.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.142 -0.974 . . . . 74.23 110.54 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 5.0 m -108.12 -178.27 3.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.364 -0.835 . . . . 73.12 109.854 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -13.5 59.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.93 . . . . 70.01 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -29.34 9.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.866 . . . . 74.11 110.41 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.88 -171.09 0.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.163 -0.961 . . . . 73.12 110.818 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 74' ' ' VAL . 2.2 mp -116.3 141.66 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 74.45 109.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.39 157.44 27.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 64.51 110.457 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.5 tp -113.16 128.85 56.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 71.34 109.661 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' CG1' ' HE3' ' A' ' 101' ' ' MET . 90.9 t -113.01 126.65 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 74.21 111.019 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 1.9 t-80 -124.04 130.93 53.38 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.082 -0.71 . . . . 74.41 109.082 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 72' ' ' PHE . 2.8 pp -141.59 153.49 44.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.893 -1.129 . . . . 72.32 111.486 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 tt0 -123.05 135.48 54.44 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.257 -0.646 . . . . 71.42 109.257 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.33 154.05 48.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.998 -1.064 . . . . 74.35 110.915 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG3' ' HB2' ' A' ' 97' ' ' ASP . 0.3 OUTLIER -134.55 144.51 48.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.53 -0.731 . . . . 74.11 109.77 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -85.75 139.86 30.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.149 -0.969 . . . . 73.54 110.211 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.87 150.46 28.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 74.14 110.662 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER 63.92 -79.64 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.534 -0.729 . . . . 72.33 110.915 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 21.1 tt0 168.95 124.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.03 -1.044 . . . . 71.31 110.11 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.6 t30 50.3 49.53 20.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.926 . . . . 74.31 110.662 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.86 -164.48 1.28 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 75.21 110.013 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 138.79 85.31 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.94 . . . . 65.22 110.23 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.67 146.84 89.51 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.054 1.555 . . . . 73.3 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . 80.7 m-20 -115.25 118.57 33.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 74.51 110.098 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE1' ' NH1' ' A' ' 9' ' ' ARG . 83.0 m-85 -80.01 136.06 36.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.906 . . . . 74.22 110.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.491 HG23 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -119.32 -24.67 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.27 -0.893 . . . . 65.1 109.842 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.77 129.16 27.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 64.13 110.19 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.436 ' HB2' HD11 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -149.06 115.46 5.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 74.41 110.044 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 24.6 p90 -146.82 163.61 35.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -0.974 . . . . 75.53 110.164 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 104' ' ' ASP . 30.7 t -128.97 159.5 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.188 -0.945 . . . . 74.12 110.59 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.495 ' N ' HG13 ' A' ' 103' ' ' VAL . 6.7 t70 -125.46 117.02 22.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 72.13 109.858 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.73 132.87 22.06 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.121 -0.987 . . . . 73.43 110.605 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -65.45 131.63 28.65 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.065 1.561 . . . . 74.34 110.355 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.93 -19.05 32.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.797 -1.321 . . . . 61.43 109.797 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.01 168.95 9.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -1.184 . . . . 71.34 110.287 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -84.81 143.17 29.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 75.34 110.205 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.25 139.08 43.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 74.35 110.19 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -122.87 126.03 46.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 73.42 110.551 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.2 m-85 -86.55 143.52 27.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 74.01 110.025 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -102.47 -31.11 10.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.209 -0.932 . . . . 75.41 110.191 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 101' ' ' MET . 21.1 mt -121.57 -80.4 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.285 -0.884 . . . . 72.54 110.119 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' N ' HG23 ' A' ' 114' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.255 -0.903 . . . . 75.33 110.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.62 -1.392 . . . . 72.22 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -112.88 24.53 12.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.232 -1.157 . . . . 71.51 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.1 -34.75 68.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.949 . . . . 74.44 109.991 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -54.3 -48.28 71.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 73.41 110.221 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -33.14 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 72.44 110.134 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -40.95 82.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 75.13 110.026 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -34.3 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 73.32 109.897 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -58.75 -50.53 73.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.235 -0.915 . . . . 74.23 110.579 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 5.9 ptm85 -64.74 -39.02 92.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.146 -0.971 . . . . 75.13 110.354 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.76 -40.94 88.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.13 -0.981 . . . . 65.01 109.875 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -73.35 -36.53 49.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.085 -1.01 . . . . 74.4 110.092 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -53.04 -52.01 59.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 73.33 110.21 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 6.3 ptt? -68.49 -30.71 69.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.251 -0.905 . . . . 73.14 109.919 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG2' ' HE2' ' A' ' 101' ' ' MET . 36.5 t -69.9 -49.16 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 75.33 110.404 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 12.5 pt-20 -66.64 -25.04 66.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 74.11 110.432 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -98.37 -16.94 19.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.086 -1.008 . . . . 73.1 109.958 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' ND2' ' HG ' ' A' ' 113' ' ' LEU . 5.1 t30 -45.17 122.72 3.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 73.03 110.002 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -63.75 -26.23 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 74.15 110.566 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 10.7 m-20 -69.11 -45.49 70.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.24 -0.913 . . . . 73.45 110.861 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -73.3 -35.96 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.165 -0.959 . . . . 73.44 110.675 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -33.15 58.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.187 -0.945 . . . . 73.34 110.468 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -38.71 74.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.224 -0.922 . . . . 73.24 110.264 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD12 ' CG ' ' A' ' 111' ' ' TYR . 41.2 mt -72.41 -48.14 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.239 -0.913 . . . . 75.01 109.734 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -76.43 -7.2 54.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.538 -0.726 . . . . 74.21 110.131 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 39.6 mt-30 59.46 39.32 22.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 75.34 110.221 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -60.07 179.89 0.12 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.228 -0.92 . . . . 75.21 110.102 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -138.78 172.41 12.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 71.53 110.53 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 34.2 t0 -179.26 78.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.433 -0.792 . . . . 55.21 109.792 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.71 165.64 24.75 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.94 -1.264 . . . . 75.11 109.94 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 tp -60.91 -15.43 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -1.075 . . . . 73.44 109.886 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 32' ' ' GLY . 5.2 t -87.06 -23.27 25.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 70.31 110.234 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 31' ' ' THR . . . 179.13 129.1 1.26 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.827 -1.309 . . . . 70.21 109.827 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.07 135.68 50.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -1.122 . . . . 72.15 109.869 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 26' ' ' CYS . 26.4 tt0 -85.0 143.08 29.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.93 . . . . 75.4 110.762 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -130.03 126.67 38.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.429 -0.795 . . . . 75.53 109.209 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 8.8 mt -99.74 146.6 26.37 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.142 -0.974 . . . . 75.34 110.893 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.57 143.98 49.87 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.667 -0.646 . . . . 75.01 109.978 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB2' HG22 ' A' ' 11' ' ' VAL . . . -139.04 164.69 29.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 64.31 110.312 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 43' ' ' ILE . 9.0 p90 -153.41 172.35 17.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.309 -0.87 . . . . 74.5 109.982 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' CA ' HD13 ' A' ' 54' ' ' ILE . . . -55.35 -155.26 0.01 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.247 -1.141 . . . . 52.33 110.247 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' LEU . 6.6 pt-20 -85.35 -136.88 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.979 -1.307 . . . . 54.34 110.241 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -38.71 108.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 65.31 110.948 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 39' ' ' TYR . 1.6 pt -139.38 -176.19 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 75.31 109.976 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -66.84 -11.22 54.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 74.41 110.227 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 4.0 t-20 56.95 101.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 64.05 110.364 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 168.92 -158.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.211 -0.931 . . . . 74.41 110.119 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -55.82 -163.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 74.23 109.845 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ARG . 79.0 m95 -44.46 -63.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.183 -0.948 . . . . 75.23 109.935 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 48' ' ' TRP . 26.7 p 42.54 -94.55 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 71.52 110.372 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 58.25 99.46 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.157 -0.964 . . . . 64.45 110.237 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -110.09 -37.79 5.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 74.52 110.166 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.3 143.72 26.59 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 74.23 110.131 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -73.4 159.87 45.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.036 1.546 . . . . 74.34 110.699 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.535 HD13 ' CA ' ' A' ' 40' ' ' GLY . 25.7 mm -83.31 132.68 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.429 -0.795 . . . . 73.51 109.98 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.29 150.67 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 73.14 110.419 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -129.28 150.47 50.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 61.15 110.151 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 74.8 p -111.36 143.21 42.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.248 -0.907 . . . . 73.04 110.381 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.1 ptpt -129.23 131.94 47.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 64.15 109.934 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -139.87 137.44 34.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.139 -0.975 . . . . 75.32 110.186 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -104.23 141.96 35.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 74.41 110.379 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.73 -170.21 2.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.238 -0.914 . . . . 51.42 110.088 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -64.86 -12.98 54.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 71.34 110.203 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -95.4 -9.64 32.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 64.04 110.216 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.51 -4.2 66.45 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.671 -1.372 . . . . 63.3 109.671 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.22 121.24 16.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -1.199 . . . . 74.32 110.18 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 19.5 m -86.21 133.71 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 72.21 110.231 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.74 140.91 41.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.846 . . . . 74.51 110.222 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.6 t60 -117.46 138.95 51.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 73.23 110.137 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 92.1 m-85 -122.37 130.47 53.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 73.52 110.269 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.482 ' CE ' HG23 ' A' ' 54' ' ' ILE . 3.2 ttt -136.85 139.5 41.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 65.44 110.12 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -144.67 150.91 38.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 75.34 110.241 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 72' ' ' PHE . 13.8 p90 -152.33 154.26 35.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.321 -0.862 . . . . 65.53 109.946 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 11.1 m170 -91.94 157.07 17.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 73.22 110.371 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 38' ' ' ALA . 58.5 t -132.54 135.67 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 65.05 109.804 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HG3' ' CG1' ' A' ' 80' ' ' ILE . 5.0 tt0 -120.47 126.47 50.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.162 -0.961 . . . . 75.53 110.623 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB2' HD22 ' A' ' 36' ' ' LEU . 10.9 p -116.67 176.29 5.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 52.22 109.952 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -78.93 -16.42 57.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 71.51 110.215 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 79' ' ' LYS . 1.1 mttm -99.07 -24.91 14.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 71.54 110.163 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.447 ' O ' ' OG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 177.05 -179.81 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.308 -0.87 . . . . 74.32 110.089 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG1' ' HG3' ' A' ' 75' ' ' GLU . 5.1 mp -115.83 144.7 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 71.13 110.245 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.94 157.85 41.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 72.14 110.443 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -113.18 136.64 52.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 74.32 109.164 179.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 55.5 t -124.44 131.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 72.44 111.218 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -128.8 131.14 47.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.55 -0.719 . . . . 63.0 109.076 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 101' ' ' MET . 2.2 pp -126.0 151.67 46.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.048 . . . . 75.14 111.161 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -131.34 131.75 43.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.577 -0.702 . . . . 62.22 109.463 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 96' ' ' PRO . . . -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 51.11 110.748 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -112.56 144.59 41.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.45 -0.782 . . . . 73.05 109.91 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -85.96 138.32 32.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 70.0 110.412 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.35 133.93 52.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.384 -0.823 . . . . 74.24 109.901 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER 63.09 -140.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.16 -0.962 . . . . 75.2 109.717 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 5.1 pt20 -54.13 -165.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 64.52 110.239 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 93' ' ' ASN . 1.9 p-10 -89.97 30.9 1.01 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 72.04 110.316 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -160.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.224 -0.923 . . . . 74.4 110.14 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.36 139.58 81.65 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.322 -0.861 . . . . 72.32 110.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 87' ' ' ALA . 48.4 Cg_endo -78.56 159.13 28.77 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 123.984 1.518 . . . . 74.11 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -101.55 123.61 45.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.956 . . . . 72.3 110.093 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.72 124.62 22.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.123 -0.986 . . . . 74.11 110.144 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.06 -18.84 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.235 -0.916 . . . . 73.01 110.363 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.09 128.33 16.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 74.22 110.213 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.434 ' HG3' ' HB2' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.95 130.63 14.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 74.52 110.212 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -147.4 157.09 43.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 73.55 109.946 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 14.7 p -121.46 153.04 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 74.23 110.538 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.06 116.08 22.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.297 -0.877 . . . . 71.32 110.242 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 2.8 p -121.0 130.84 24.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.167 -0.958 . . . . 75.42 110.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.8 Cg_exo -63.01 132.09 35.37 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.931 1.49 . . . . 71.32 110.642 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.69 -20.3 24.42 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.991 -1.243 . . . . 70.14 109.991 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 13.9 mm-40 -118.8 158.37 25.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.075 -1.25 . . . . 71.02 110.232 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.95 147.3 31.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.233 -0.917 . . . . 73.32 109.927 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 142.11 55.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 74.4 110.32 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CG ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -122.73 128.64 50.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.863 . . . . 72.11 109.965 179.767 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.548 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 33.4 m-85 -74.82 140.3 43.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.257 -0.902 . . . . 74.35 110.284 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.463 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -98.09 -29.63 13.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 73.23 110.067 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.65 -49.36 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 75.53 110.006 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 4.5 tttm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.323 -0.861 . . . . 74.13 110.288 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.539 -1.425 . . . . 64.22 109.539 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 64.32 -70.27 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.218 -1.166 . . . . 75.43 110.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 1' ' ' GLY . 1.1 t0 -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 73.42 110.011 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.0 m -55.78 -52.28 64.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 74.54 109.525 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.75 -30.41 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.295 -0.878 . . . . 74.45 109.075 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.93 -44.67 78.56 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 73.21 109.658 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -76.75 -33.25 58.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.402 -0.812 . . . . 74.15 109.731 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 4' ' ' THR . 3.1 m-80 -51.59 -51.78 52.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 73.43 110.189 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -63.03 -31.97 73.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 74.44 109.88 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.14 -37.51 66.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 74.41 110.093 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -72.69 -30.34 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.3 -0.875 . . . . 63.11 109.88 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 11' ' ' VAL . 36.0 t -59.68 -49.6 77.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 65.32 110.303 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.02 -29.89 67.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 65.41 110.203 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' MET . 34.8 t -75.02 -41.95 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.164 -0.96 . . . . 75.24 110.471 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -74.31 -21.11 59.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.898 . . . . 74.22 110.589 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -100.66 -15.33 17.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 72.33 110.105 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 2.1 t30 -44.95 130.61 7.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 73.02 110.537 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -66.65 -42.51 86.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.398 -0.814 . . . . 74.14 109.935 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.78 -49.39 77.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.559 -0.713 . . . . 73.1 110.354 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.54 -35.87 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 71.14 109.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.05 -39.93 60.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.193 -0.942 . . . . 74.41 109.394 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -65.86 -44.5 85.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.425 -0.797 . . . . 74.13 109.46 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.01 -41.53 99.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.518 -0.738 . . . . 71.44 109.703 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -89.2 -10.01 48.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.341 -0.849 . . . . 74.41 110.17 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.2 mt-30 60.85 29.62 19.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 65.22 110.198 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.6 m -82.5 -166.12 1.21 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 72.21 110.087 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.9 168.37 17.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.174 -0.954 . . . . 72.13 110.106 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.07 89.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 73.44 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -160.42 165.15 34.84 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.556 -1.418 . . . . 72.21 109.556 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.52 -27.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.382 -1.069 . . . . 74.31 110.199 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 t -83.76 -15.54 48.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.284 -0.885 . . . . 74.41 110.485 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.98 121.07 0.86 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.826 -1.31 . . . . 74.0 109.826 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -117.34 121.71 41.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.265 -1.138 . . . . 74.22 110.107 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -73.12 142.98 47.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.353 -0.842 . . . . 54.34 110.188 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -112.63 114.05 26.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 74.44 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 34' ' ' GLU . 35.8 mt -110.23 145.45 37.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.398 -0.813 . . . . 74.11 109.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.38 130.47 56.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.164 -0.96 . . . . 71.51 110.521 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.81 163.17 21.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 75.51 110.012 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.7 p90 -152.35 157.72 41.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 72.22 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -57.48 -158.47 0.02 OUTLIER Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.578 -1.409 . . . . 73.35 109.578 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 15.0 pt-20 -84.73 -158.75 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -1.184 . . . . 73.4 110.241 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 3.1 tp 59.1 125.03 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.837 . . . . 75.41 110.166 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.4 pp -145.66 -177.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 75.2 110.423 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 43' ' ' ILE . 85.9 m -164.11 -39.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.438 -0.789 . . . . 74.11 109.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 44.83 42.69 6.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 71.53 110.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -142.41 23.76 1.96 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 73.51 110.061 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 57.99 179.37 0.06 Allowed 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.223 0.535 . . . . 75.24 110.19 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 52.35 55.26 9.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.234 -0.916 . . . . 74.25 110.05 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ARG . 32.1 p -120.7 115.8 24.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 71.41 110.128 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -57.61 -161.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.164 -0.96 . . . . 75.4 110.258 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.08 118.32 25.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.223 -0.923 . . . . 72.14 110.432 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -112.64 130.24 23.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 71.15 109.937 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -69.99 159.75 52.1 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 123.958 1.504 . . . . 75.23 110.594 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 HD11 ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm -79.09 127.66 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 74.23 110.271 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.41 ' O ' ' HE2' ' A' ' 70' ' ' MET . 14.4 p -101.22 153.07 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 75.34 110.109 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 151.57 39.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.912 . . . . 72.0 110.374 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -99.74 149.38 23.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 62.44 110.031 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 3.8 ptmt -125.32 134.72 52.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.194 -0.941 . . . . 72.5 110.63 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.68 126.13 13.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 72.32 110.221 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.43 136.72 46.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 74.44 110.203 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.52 -175.65 4.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 74.52 110.454 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.51 -23.01 47.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 72.42 109.96 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.46 -11.12 59.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.109 -0.994 . . . . 71.34 110.392 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 4.98 85.41 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.425 -1.47 . . . . 63.22 109.425 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.13 125.93 30.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -1.123 . . . . 75.11 110.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 9.1 m -78.52 137.25 37.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.223 -0.923 . . . . 71.25 110.254 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -119.32 140.44 50.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.188 -0.945 . . . . 75.2 110.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 6.6 t-80 -119.07 142.4 47.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 73.33 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 13.7 m-85 -127.44 123.96 37.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.241 -0.912 . . . . 74.43 110.086 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.465 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 0.0 OUTLIER -132.8 141.0 48.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 71.52 110.047 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 14.7 ptt180 -149.94 144.73 26.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.195 -0.941 . . . . 72.34 110.39 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 7.0 p90 -154.86 151.73 28.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 73.3 109.915 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.445 ' HA ' HD21 ' A' ' 82' ' ' LEU . 74.2 m-70 -89.8 157.14 18.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.976 . . . . 73.05 110.575 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 HG21 ' A' ' 83' ' ' VAL . 4.5 t -125.96 133.39 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 75.55 109.921 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.89 121.5 44.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 70.52 110.34 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -115.35 162.55 16.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 74.33 110.121 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -69.27 -13.87 62.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 75.33 110.221 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 3.4 mmtm -98.86 -28.82 13.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 74.24 110.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -178.58 -161.12 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.985 . . . . 72.52 110.394 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.98 141.48 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.309 -0.87 . . . . 74.15 110.18 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . . . -135.89 157.38 46.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 73.22 110.389 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 2.1 tm? -116.4 132.29 56.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 71.5 109.584 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 77.7 t -112.84 125.74 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.144 -0.972 . . . . 75.25 111.118 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 6.3 t-160 -119.94 127.79 53.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.51 -0.744 . . . . 74.1 109.422 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HB3' ' CE ' ' A' ' 101' ' ' MET . 2.5 pp -129.16 149.59 50.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.036 -1.04 . . . . 74.12 110.867 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.94 130.0 52.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.515 -0.741 . . . . 71.14 109.377 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -114.19 138.0 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.038 -1.039 . . . . 71.42 110.565 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 99' ' ' ILE . 2.7 ttpt -121.82 139.66 53.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.478 -0.764 . . . . 73.31 109.886 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -104.03 131.04 51.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.257 -0.902 . . . . 74.05 109.95 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' GLN . 76.6 p -101.24 123.51 45.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.211 -0.931 . . . . 72.51 110.808 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 1.7 tmtm? 51.64 -83.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.424 -0.798 . . . . 73.33 110.839 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.7 tt0 -164.02 68.93 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.72 -1.238 . . . . 52.23 110.543 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.44 78.48 1.14 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 72.04 110.037 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.9 t80 46.78 -138.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 74.24 109.916 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.54 158.19 86.75 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.55 110.059 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.5 Cg_endo -62.8 165.73 15.5 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 O-C-N 124.084 1.571 . . . . 73.12 110.264 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.66 142.65 42.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 72.44 110.243 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 87' ' ' ALA . 42.4 m-85 -58.9 128.69 38.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.297 -0.877 . . . . 71.04 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 88' ' ' LYS . 6.7 pt -117.9 -23.13 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.441 -0.787 . . . . 72.11 109.818 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -137.57 130.05 29.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.838 . . . . 74.22 109.887 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -148.5 122.8 9.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.011 . . . . 71.41 110.61 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 33.5 p90 -147.65 158.82 44.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 75.31 110.031 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 12.0 p -122.44 151.84 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.13 -0.981 . . . . 75.42 110.409 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.89 121.62 32.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.158 -0.964 . . . . 72.01 110.284 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.43 HG12 HD11 ' A' ' 24' ' ' LEU . 2.2 m -114.39 133.47 22.45 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 70.13 110.086 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 19.6 Cg_exo -60.88 127.16 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.069 1.563 . . . . 71.42 110.932 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.23 -18.01 30.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.422 -1.071 . . . . 54.24 110.422 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' CB ' HG23 ' A' ' 105' ' ' VAL . 47.8 mt-10 -118.51 162.24 18.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.278 . . . . 73.42 110.774 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 145.51 38.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.437 -0.79 . . . . 75.2 110.096 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.4 ptt180 -76.78 140.97 40.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 74.33 110.331 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.89 55.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 75.3 110.035 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 115' ' ' LYS . 25.2 p90 -75.81 138.27 41.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.143 -0.973 . . . . 75.33 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.58 -35.51 12.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 71.25 109.99 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' LYS . 92.3 mt -117.5 -69.38 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 75.44 110.084 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 73.33 110.219 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.434 -1.467 . . . . 62.23 109.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -56.08 -37.38 69.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -1.139 . . . . 74.34 110.315 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.7 p30 -59.18 -25.94 64.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 74.14 110.042 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 87.4 m -59.01 -31.97 69.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 74.2 109.843 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -70.55 -33.79 71.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 72.42 110.022 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.65 -40.05 95.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 75.11 109.957 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.03 -36.85 58.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 74.1 109.613 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 4' ' ' THR . 6.5 m-80 -56.27 -50.68 70.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 75.12 110.122 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.2 ptm85 -68.34 -35.89 78.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.343 -0.848 . . . . 74.43 110.135 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.505 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.79 -43.82 78.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 72.44 110.093 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -67.79 -32.38 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 70.14 109.815 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 20.9 t -63.51 -48.73 76.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 75.33 110.108 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 7.3 ptt? -68.44 -31.54 70.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.935 . . . . 75.12 110.021 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' MET . 52.3 t -74.78 -40.41 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 74.33 110.838 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 12' ' ' SER . 23.1 pt-20 -76.69 -19.29 57.88 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.143 -0.973 . . . . 74.4 110.76 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 12' ' ' SER . 8.1 pttp -103.67 -14.52 16.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 74.45 110.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' MET . 4.2 t30 -48.03 131.78 15.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 64.44 110.295 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.23 -44.62 83.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.244 -0.91 . . . . 75.43 109.996 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 54.6 m-20 -56.92 -46.34 82.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.454 -0.779 . . . . 75.13 110.111 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 34.9 mm -70.83 -34.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.218 -0.926 . . . . 70.32 109.788 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 6.3 ttp180 -53.19 -34.67 57.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.408 -0.808 . . . . 72.12 110.17 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.95 . . . . 73.4 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 23' ' ' LEU . 8.7 mt -73.59 -43.84 58.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 75.22 110.026 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -86.14 -4.35 59.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 72.15 110.195 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 54.69 39.5 31.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.182 -0.948 . . . . 73.15 109.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 27' ' ' ASP . 5.8 t -87.44 165.93 15.18 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.422 -0.798 . . . . 64.01 110.075 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -123.39 179.4 4.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.309 -0.869 . . . . 72.03 110.153 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 174.1 84.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.121 -0.987 . . . . 75.05 110.21 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -152.55 158.62 27.96 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.645 -1.382 . . . . 75.42 109.645 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.39 -26.69 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -1.08 . . . . 73.45 110.169 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -81.79 -23.55 36.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.311 -0.868 . . . . 60.05 109.855 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.73 123.51 1.1 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.493 -1.443 . . . . 55.43 109.493 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.6 mttm -119.15 121.27 39.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 75.15 110.37 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 4.2 tp10 -80.23 143.08 34.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 71.44 109.759 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 118.03 29.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.133 -0.979 . . . . 74.44 110.662 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 76' ' ' SER . 45.8 mt -109.81 145.71 36.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 74.3 110.012 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -120.28 143.85 48.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 73.25 110.259 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -141.19 149.71 41.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.43 -0.794 . . . . 63.13 110.285 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -147.99 154.89 40.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.235 -0.916 . . . . 73.14 110.126 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -159.79 3.17 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.014 -1.234 . . . . 74.43 110.014 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -130.42 -150.66 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -1.097 . . . . 72.24 110.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' ILE . 2.2 tp -161.05 -167.55 1.84 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.145 -0.972 . . . . 72.51 110.488 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 46' ' ' ASP . 19.1 pt -51.87 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.393 -0.817 . . . . 73.23 110.539 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -60.18 2.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.343 -0.848 . . . . 72.43 110.106 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -130.84 114.42 15.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.273 -0.892 . . . . 53.42 109.959 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 49' ' ' THR . 17.7 p-10 -108.65 -165.68 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.2 -0.937 . . . . 73.24 110.223 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -155.55 0.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.198 -0.939 . . . . 74.24 110.268 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -72.68 -8.31 54.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 75.45 110.235 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -77.93 155.37 30.91 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.282 -0.886 . . . . 73.01 109.77 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.58 38.69 0.06 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.059 -1.026 . . . . 71.52 110.51 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -141.73 51.16 1.54 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.202 -0.936 . . . . 74.54 110.029 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 24.4 mmt180 -86.8 165.17 33.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.274 -0.891 . . . . 74.01 110.083 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 52' ' ' ARG . 28.6 Cg_endo -67.02 160.46 47.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 124.071 1.564 . . . . 73.34 110.222 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mm -78.3 128.76 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 70.3 110.215 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -96.77 149.7 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 74.43 110.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m -129.66 139.75 51.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 75.31 110.62 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 20.8 p -102.91 149.72 24.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.392 -0.817 . . . . 63.23 110.007 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -129.21 132.54 47.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 74.11 110.735 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -138.24 128.14 25.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.297 -0.877 . . . . 73.52 109.769 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -88.23 142.21 27.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.194 -0.941 . . . . 74.13 110.67 -179.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 41.1 p30 -95.65 -176.8 3.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.36 -0.838 . . . . 74.34 110.12 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -14.45 11.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 72.51 110.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.3 -5.6 56.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 73.41 110.256 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.57 2.71 86.94 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.435 -1.466 . . . . 72.54 109.435 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 9.7 tpp180 -83.77 129.84 34.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 72.33 110.091 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.3 m -77.88 138.74 39.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 71.34 110.387 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 30.0 m170 -113.83 138.7 49.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 74.22 109.81 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 57' ' ' THR . 2.9 m-70 -117.95 141.22 48.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.02 -1.05 . . . . 74.1 110.931 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE1' ' CD ' ' A' ' 86' ' ' GLU . 94.8 m-85 -121.34 127.28 51.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.375 -0.828 . . . . 74.44 109.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.449 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 27.8 ttm -149.09 130.5 14.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 73.45 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HB3' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.02 148.65 35.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.356 -0.84 . . . . 73.54 109.948 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 5.6 p90 -147.68 162.3 39.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 74.22 110.128 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 82' ' ' LEU . 8.8 m170 -95.62 159.2 15.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 74.24 110.27 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 38' ' ' ALA . 9.1 t -127.3 135.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.403 -0.811 . . . . 62.52 109.959 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.05 120.02 40.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 73.45 110.273 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' HD12 ' A' ' 24' ' ' LEU . 23.4 m -112.83 172.39 6.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 64.43 110.131 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -19.47 53.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 74.11 110.098 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 2.1 mttt -94.67 -26.75 16.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 74.35 109.932 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 179.74 -167.74 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.335 -0.853 . . . . 73.24 110.01 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.97 138.84 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 74.12 110.424 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.49 155.94 44.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 70.42 109.971 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 73' ' ' HIS . 5.9 tt -114.86 134.29 55.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.883 . . . . 71.05 109.901 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.546 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 65.7 t -117.72 123.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 72.55 110.685 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 3.4 t-160 -120.88 128.9 53.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 72.52 109.286 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 98' ' ' PHE . 3.4 pp -134.95 148.24 49.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.07 -1.019 . . . . 74.42 111.246 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.488 ' CD ' ' CE1' ' A' ' 69' ' ' TYR . 2.1 tt0 -116.07 133.94 55.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.589 -0.694 . . . . 74.42 109.163 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -115.68 150.31 36.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 63.13 110.939 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -132.8 139.42 47.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.499 -0.751 . . . . 73.53 109.671 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 96' ' ' PRO . 2.6 pp20? -87.87 139.1 30.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 71.22 110.471 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -116.83 132.25 56.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 74.21 110.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.42 -161.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.258 -0.902 . . . . 65.11 110.316 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 2.8 tt0 -120.42 23.26 10.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 74.31 110.178 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 42.74 3.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -0.916 . . . . 73.53 110.267 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -171.71 -176.05 1.68 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 74.33 110.028 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -113.78 156.53 43.59 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.243 -0.911 . . . . 74.23 109.906 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 50.4 Cg_exo -44.93 144.65 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 123.855 1.45 . . . . 72.13 110.048 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -122.55 148.57 45.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.126 -0.984 . . . . 75.55 110.097 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 85' ' ' LEU . 23.4 m-85 -68.76 131.91 45.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 73.45 110.401 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' ' 86' ' ' GLU . 2.9 pt -114.65 -16.58 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.909 . . . . 75.11 109.669 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 4.0 m120 -149.76 129.45 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.379 -0.825 . . . . 74.31 109.498 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.515 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.67 118.12 6.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.998 -1.064 . . . . 72.52 110.898 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 9.6 p90 -147.44 155.2 41.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.397 -0.814 . . . . 72.4 109.656 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 82' ' ' LEU . 8.7 p -124.34 149.5 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 72.33 110.718 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 114.97 29.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.373 -0.829 . . . . 65.5 109.597 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.17 127.1 27.41 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.87 . . . . 65.03 110.38 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -63.34 126.57 18.02 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.864 1.455 . . . . 75.53 110.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.35 -19.62 26.55 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.979 -1.248 . . . . 73.11 109.979 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -116.54 169.95 8.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.022 -1.281 . . . . 74.44 110.653 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -85.68 139.8 31.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 74.03 110.146 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.06 131.03 49.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.311 -0.868 . . . . 72.13 110.013 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 19' ' ' ASP . 11.5 t80 -108.56 133.16 53.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.17 -0.956 . . . . 74.22 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 53.1 m-85 -88.86 134.12 34.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.327 -0.858 . . . . 71.25 110.399 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -27.71 19.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.157 -0.964 . . . . 73.14 109.734 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.5 mt -133.64 -52.04 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.331 -0.856 . . . . 75.43 110.145 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 73.33 110.259 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.491 -1.444 . . . . 73.54 109.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -85.94 3.5 41.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -1.19 . . . . 72.4 110.167 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.62 -29.79 69.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 71.2 110.034 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -54.64 -37.14 65.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 64.22 109.9 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -59.78 -32.31 70.49 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.349 -0.844 . . . . 74.31 109.851 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.7 tp -60.21 -42.21 94.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 72.4 109.746 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.2 -33.38 59.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.86 . . . . 75.44 109.448 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.31 -44.91 72.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.433 -0.792 . . . . 72.12 110.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 8.8 ptm180 -70.76 -31.93 68.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 75.34 110.22 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.66 -42.2 78.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.089 -1.007 . . . . 72.5 109.634 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -71.26 -31.65 44.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.316 -0.865 . . . . 73.05 109.874 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -62.37 -50.73 70.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 72.13 110.487 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.3 ptt? -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.132 -0.98 . . . . 64.12 110.016 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 13' ' ' MET . 55.5 t -74.66 -38.8 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.364 -0.835 . . . . 74.23 110.464 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 12' ' ' SER . 10.0 pt-20 -74.61 -25.61 59.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.047 -1.033 . . . . 75.31 110.452 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -98.07 -18.03 18.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 74.53 110.039 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -44.4 125.32 4.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.853 . . . . 73.52 110.182 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -64.4 -38.5 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 75.43 110.01 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.522 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 6.0 m-20 -62.08 -40.51 96.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.268 -0.895 . . . . 73.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 HG22 ' A' ' 20' ' ' ILE . 49.2 mm -75.81 -33.96 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 75.43 109.83 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 20.3 ttp85 -51.88 -40.62 60.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 74.41 109.949 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.92 77.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 75.33 110.201 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD21 ' OE2' ' A' ' 108' ' ' GLU . 12.6 mt -73.38 -40.7 64.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 74.51 110.226 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 1.2 mt -87.66 -9.46 54.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 74.44 110.413 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ARG . 36.4 mt-30 57.33 38.32 28.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 75.32 109.896 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' SG ' ' HG3' ' A' ' 21' ' ' ARG . 19.5 p -92.97 157.62 16.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.855 . . . . 75.53 110.222 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.5 173.16 8.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 64.45 110.397 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.45 79.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.881 . . . . 72.12 110.113 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' HD2' ' A' ' 33' ' ' LYS . . . -138.24 173.95 22.2 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.541 -1.423 . . . . 62.41 109.541 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 tp -68.76 -16.66 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -1.178 . . . . 74.35 110.227 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -109.15 4.12 22.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.161 -0.962 . . . . 73.41 110.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.15 117.44 0.62 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.541 -1.424 . . . . 73.11 109.541 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -123.77 136.86 54.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.208 -1.172 . . . . 71.24 110.404 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -89.02 143.32 26.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.247 -0.908 . . . . 71.02 110.315 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 119.17 35.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 72.4 110.644 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.88 146.37 35.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 73.2 109.955 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 75' ' ' GLU . 1.0 OUTLIER -121.32 139.33 53.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.189 -0.944 . . . . 74.43 110.558 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -132.13 160.51 35.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.468 -0.77 . . . . 72.5 110.206 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.547 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.5 p90 -153.17 148.79 27.32 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.249 -0.907 . . . . 75.21 110.067 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 72' ' ' PHE . . . -68.49 -134.18 0.06 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.905 -1.278 . . . . 62.13 109.905 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.5 pt-20 -58.21 148.15 27.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.081 . . . . 74.32 110.617 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 39' ' ' TYR . 1.2 mt -179.62 98.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 70.2 109.915 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.3 pt -61.84 -172.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.362 -0.836 . . . . 72.33 110.586 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m -72.46 -58.47 3.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 74.43 109.958 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.72 91.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 75.42 109.927 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -86.02 178.88 7.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 70.25 110.557 -179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.7 mmtp 51.91 -168.37 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.395 -0.816 . . . . 73.11 110.424 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LYS . 9.8 m0 41.22 27.29 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.421 -0.8 . . . . 71.51 110.427 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p -152.58 147.28 25.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 70.34 110.163 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 50' ' ' ARG . 5.4 tpt180 -101.55 75.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -0.912 . . . . 74.43 110.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -41.75 119.98 1.41 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.369 -0.832 . . . . 62.44 110.46 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' CB ' ' HD2' ' A' ' 53' ' ' PRO . 4.6 mtt180 -76.97 169.19 22.43 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 72.11 110.287 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -60.98 161.4 22.35 Favored 'Trans proline' 0 C--N 1.302 -1.887 0 O-C-N 124.207 1.635 . . . . 73.42 110.76 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.8 mm -77.53 128.75 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.513 -0.742 . . . . 72.2 110.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -103.8 153.22 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 75.23 110.357 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 m -119.92 150.29 40.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 52.3 110.286 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 41.2 p -99.43 141.69 31.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.257 -0.902 . . . . 74.42 109.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -110.22 125.39 53.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.206 -0.934 . . . . 74.33 110.357 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -143.32 137.22 28.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 73.22 109.984 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -111.43 145.96 38.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 74.21 110.547 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.11 -164.08 1.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.378 -0.826 . . . . 73.44 110.263 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -25.33 65.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.848 . . . . 74.44 110.478 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -80.48 -11.56 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.196 -0.94 . . . . 74.43 110.508 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.08 13.15 59.31 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.752 -1.339 . . . . 74.53 109.752 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -87.12 121.43 29.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -1.164 . . . . 73.33 109.849 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.505 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 25.6 m -82.92 136.78 34.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.161 -0.962 . . . . 72.15 110.393 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -121.39 149.38 43.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 71.13 109.786 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 57' ' ' THR . 4.6 m-70 -115.95 138.41 51.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 73.25 110.105 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 33.5 m-85 -111.26 121.71 45.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 73.44 110.613 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.3 ttm -133.92 130.38 37.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 74.11 109.809 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.9 OUTLIER -140.04 154.22 47.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.15 -0.968 . . . . 65.53 110.634 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.557 ' N ' ' CD2' ' A' ' 72' ' ' PHE . 12.0 p90 -159.21 169.75 23.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.391 -0.818 . . . . 75.4 109.737 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -108.56 152.0 25.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 74.23 110.26 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 38' ' ' ALA . 25.4 t -123.87 130.27 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.368 -0.832 . . . . 73.55 109.74 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 1.7 tt0 -110.25 117.72 34.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 73.01 110.375 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.489 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 6.5 p -101.49 175.79 5.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.523 -0.735 . . . . 74.42 109.907 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -13.33 59.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 74.32 110.001 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 -25.24 12.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 73.05 110.513 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -173.01 -155.11 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 71.31 110.776 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.4 mt -135.03 143.1 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 62.34 109.856 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.34 157.84 45.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 75.25 110.626 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.7 OUTLIER -116.38 138.38 51.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 72.13 109.934 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.546 HG13 ' CZ ' ' A' ' 72' ' ' PHE . 92.1 t -117.23 130.22 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 70.31 110.793 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 3.3 t60 -126.93 118.64 24.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 75.45 109.69 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 98' ' ' PHE . 2.0 pp -128.39 151.82 48.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 75.22 110.858 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.42 137.6 53.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.826 . . . . 75.11 109.528 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.49 154.37 37.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.051 -1.031 . . . . 72.44 111.202 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -125.69 146.41 49.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.636 -0.665 . . . . 63.21 109.674 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -84.5 140.35 31.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.063 -1.023 . . . . 72.31 110.84 -179.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -95.58 151.36 19.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 72.23 109.829 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -38.36 -65.7 0.32 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.439 -0.788 . . . . 71.12 110.524 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -177.79 55.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.205 -0.934 . . . . 72.43 110.171 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 94' ' ' TYR . 9.0 m120 -123.19 -14.07 7.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 74.12 110.334 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 93' ' ' ASN . 4.0 t80 -179.41 -169.18 0.14 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 75.43 110.445 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -78.27 158.54 76.7 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.424 -0.798 . . . . 74.32 110.041 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.61 160.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.939 1.494 . . . . 71.41 109.994 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -129.17 139.32 51.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 73.24 110.529 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 85' ' ' LEU . 18.0 m-85 -69.4 139.81 54.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 74.12 109.99 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.491 HG23 HD11 ' A' ' 99' ' ' ILE . 1.7 pt -120.89 -17.12 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.266 -0.896 . . . . 72.55 110.033 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 6.6 m120 -142.19 129.28 20.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 64.41 109.666 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.447 ' HE1' HD22 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -148.9 114.82 5.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.085 -1.009 . . . . 74.43 110.671 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 13.6 p90 -147.28 158.23 43.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.89 . . . . 75.1 109.919 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.505 ' CG2' HG22 ' A' ' 83' ' ' VAL . 88.8 t -129.82 143.16 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.108 -0.995 . . . . 73.54 110.582 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.04 115.25 27.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.348 -0.845 . . . . 71.22 109.922 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.89 115.75 54.8 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 73.33 110.156 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -58.46 127.0 23.06 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.872 1.459 . . . . 75.22 110.305 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.28 -15.57 49.04 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.423 . . . . 55.23 109.544 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' OE2' HD21 ' A' ' 23' ' ' LEU . 5.1 mm-40 -117.95 163.32 16.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.183 -1.187 . . . . 74.2 110.29 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -80.27 150.28 30.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.222 -0.924 . . . . 73.33 110.221 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 123.34 18.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.289 -0.882 . . . . 64.23 110.423 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -106.45 128.74 54.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 70.33 109.799 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 21.9 p90 -91.82 132.84 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 75.21 110.547 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD21 ' HE2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -86.35 -31.5 21.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 75.3 109.941 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.94 -46.46 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 72.41 109.944 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.85 . . . . 64.3 110.184 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.54 -1.424 . . . . 62.23 109.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' HB2' ' OE1' ' A' ' 5' ' ' GLN . 86.9 p -133.23 13.96 4.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -1.145 . . . . 74.34 110.102 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -56.5 -35.56 68.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.239 -0.913 . . . . 74.14 110.159 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.9 m -65.09 -44.95 87.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 74.2 110.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' HB2' ' A' ' 2' ' ' SER . 14.2 mt-30 -66.87 -36.97 83.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.854 . . . . 72.42 109.998 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -44.21 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.36 -0.837 . . . . 75.11 110.087 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.25 -33.43 63.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 74.1 109.65 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.09 -48.77 70.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.272 -0.893 . . . . 75.12 110.529 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 9.5 ptm180 -72.35 -31.85 65.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.135 -0.978 . . . . 74.43 110.549 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.69 -45.58 71.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.074 -1.016 . . . . 72.44 109.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -64.71 -34.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.329 -0.857 . . . . 70.14 110.227 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' HG11 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -61.39 -49.11 78.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 75.33 110.289 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 15.7 ptp -67.82 -31.58 71.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.241 -0.912 . . . . 75.12 110.415 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.515 ' N ' ' HG3' ' A' ' 13' ' ' MET . 24.9 t -74.68 -39.79 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 74.33 110.958 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -78.73 -21.4 48.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 74.4 110.969 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 2.0 ptmm? -95.76 -17.19 21.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.95 -1.094 . . . . 74.45 110.049 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 19' ' ' ASP . 43.3 t-20 -50.76 117.1 2.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 64.44 110.512 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 15.9 pttm -55.65 -33.59 64.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 75.43 109.658 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 20.7 m-20 -62.87 -49.63 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.301 -0.875 . . . . 75.13 109.607 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' CG1' HD12 ' A' ' 113' ' ' LEU . 25.3 mm -73.41 -32.47 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 70.32 109.593 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 ttm180 -53.82 -32.78 53.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 72.12 110.275 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -33.64 76.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.363 -0.836 . . . . 73.4 110.216 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 mt -70.8 -45.49 64.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 75.22 109.55 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 76' ' ' SER . 0.2 OUTLIER -75.77 -10.27 59.29 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.535 -0.728 . . . . 72.15 110.722 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 48.62 31.86 3.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 73.15 109.742 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 30.9 p -77.67 -159.8 0.16 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 64.01 110.782 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.53 164.71 25.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.292 -0.88 . . . . 72.03 110.115 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 8.6 p-10 -168.79 100.37 0.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.204 -0.935 . . . . 75.05 110.198 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.05 147.49 18.74 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.633 -1.387 . . . . 75.42 109.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 tt -53.38 -26.01 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.161 -1.2 . . . . 73.45 110.247 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t -86.29 -14.04 44.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.957 . . . . 60.05 110.236 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.47 134.78 1.89 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.362 -1.495 . . . . 55.43 109.362 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 13.0 mttm -126.66 161.23 28.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -1.149 . . . . 75.15 110.184 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 26' ' ' CYS . 4.3 tp10 -73.1 143.51 47.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 71.44 109.825 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 114.72 27.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.255 -0.903 . . . . 74.44 110.156 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -99.07 147.18 25.31 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.335 -0.853 . . . . 74.3 109.998 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 129.81 56.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 73.25 110.789 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . . . -130.59 147.17 52.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.412 -0.805 . . . . 63.13 109.72 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' OH ' ' OE2' ' A' ' 75' ' ' GLU . 15.7 p90 -157.56 167.22 30.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 73.14 110.44 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -81.7 -142.6 3.81 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.488 -1.445 . . . . 74.43 109.488 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -54.5 147.33 14.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -1.149 . . . . 72.24 110.21 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.44 139.56 9.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.137 -0.977 . . . . 72.51 110.4 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' N ' ' A' ' 45' ' ' ASN . 1.1 pt -139.29 -168.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.293 -0.879 . . . . 73.23 110.251 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.5 m -112.85 -26.99 8.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 72.43 111.119 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.524 ' N ' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -111.17 92.62 4.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.904 -1.123 . . . . 53.42 110.548 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD2' ' O ' ' A' ' 47' ' ' LYS . 5.7 p30 -120.99 -149.78 0.44 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.253 -0.905 . . . . 73.24 110.221 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.6 mttt -102.3 -161.05 0.82 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.941 . . . . 74.24 110.587 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 49' ' ' THR . 5.4 p90 -61.89 -20.58 63.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 75.45 110.233 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.556 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -58.67 154.2 15.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 73.01 110.302 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' NH1' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -100.86 -11.73 19.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.872 . . . . 71.52 110.097 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -170.21 144.86 2.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.949 . . . . 74.54 110.254 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -96.37 139.21 21.59 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 74.01 110.027 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.09 160.07 46.39 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.019 1.537 . . . . 73.34 110.484 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm -84.97 132.13 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 70.3 110.352 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -97.69 146.64 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.301 -0.875 . . . . 74.43 110.022 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -124.9 149.94 47.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.931 . . . . 75.31 110.398 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.2 p -100.23 140.89 33.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 63.23 110.31 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -127.73 133.54 49.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 74.11 110.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.14 136.11 23.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.883 . . . . 73.52 110.283 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -120.66 142.18 49.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.301 -0.874 . . . . 74.13 110.235 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -90.27 -166.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.309 -0.869 . . . . 74.34 110.715 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -71.74 -7.03 45.66 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.404 -0.81 . . . . 72.51 110.667 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -96.42 -12.99 23.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.074 -1.016 . . . . 73.41 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.25 2.27 59.15 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.964 -1.254 . . . . 72.54 109.964 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -75.76 121.63 22.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.042 -1.269 . . . . 72.33 110.052 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.7 m -92.58 132.88 36.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.34 -0.85 . . . . 71.34 110.349 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -112.26 140.3 47.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 74.22 109.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.63 137.55 53.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 74.1 110.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.0 m-85 -126.01 121.38 32.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.877 . . . . 74.44 109.974 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 ttp -140.02 138.68 35.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -0.936 . . . . 73.45 110.554 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.36 148.19 34.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.243 -0.911 . . . . 73.54 110.099 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 1.5 p90 -147.93 154.87 40.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.196 -0.94 . . . . 74.22 110.212 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 82' ' ' LEU . 38.5 m-70 -99.28 160.16 14.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 74.24 110.466 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.422 HG23 HG23 ' A' ' 83' ' ' VAL . 25.7 t -123.8 146.11 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 62.52 109.616 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' OH ' ' A' ' 39' ' ' TYR . 4.4 tt0 -119.28 118.77 32.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 73.45 110.95 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -117.14 173.5 6.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.773 . . . . 64.43 109.738 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' HE2' ' OE2' ' A' ' 34' ' ' GLU . 15.2 pttt -78.62 -14.28 59.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 74.11 109.956 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -97.3 -25.35 15.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 74.35 110.303 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER 174.91 -176.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.157 -0.964 . . . . 73.24 110.197 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.0 mt -114.9 139.56 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.361 -0.837 . . . . 74.12 109.586 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -124.48 157.93 34.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 70.42 110.686 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 1.5 tm? -120.67 127.36 51.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.346 -0.846 . . . . 71.05 110.03 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 52.8 t -110.9 133.13 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.31 -0.869 . . . . 72.55 110.272 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 2.0 t60 -129.83 136.8 49.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 72.52 109.885 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 4.0 pp -142.54 148.21 37.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.165 -0.959 . . . . 74.42 110.565 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.68 137.53 54.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -0.789 . . . . 74.42 109.622 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -132.76 148.63 52.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.151 -0.968 . . . . 63.13 110.823 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG3' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -134.72 146.2 49.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.494 -0.754 . . . . 73.53 109.004 179.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.1 pt-20 -84.37 138.53 32.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.044 -1.035 . . . . 71.22 110.996 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.88 148.2 51.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.445 -0.785 . . . . 74.21 109.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.489 ' CD ' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -52.87 143.58 16.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 65.11 110.508 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 91' ' ' LYS . 47.5 tp60 41.51 66.55 0.67 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 74.31 110.445 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -149.74 32.35 0.7 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 73.53 110.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 45.78 -142.08 0.31 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -0.885 . . . . 74.33 110.13 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.52 158.54 78.25 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 74.23 109.919 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.1 157.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.858 1.452 . . . . 72.13 110.193 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.49 ' OD1' ' HG3' ' A' ' 88' ' ' LYS . 8.5 p-10 -116.38 141.13 48.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 75.55 110.571 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -77.29 135.93 38.45 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.313 -0.867 . . . . 73.45 109.755 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.481 HG13 ' ND2' ' A' ' 100' ' ' ASN . 2.7 pt -114.63 -13.11 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.181 -0.949 . . . . 75.11 110.118 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.481 ' ND2' HG13 ' A' ' 99' ' ' ILE . 17.0 m-80 -149.92 129.35 12.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 74.31 109.747 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.437 ' HB2' HD11 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -146.19 119.33 8.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.213 -0.93 . . . . 72.52 110.152 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.556 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 29.6 p90 -147.28 161.05 41.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.287 -0.883 . . . . 72.4 110.086 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 110' ' ' ARG . 12.1 p -124.04 151.62 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.967 . . . . 72.33 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.27 114.94 27.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 65.5 110.232 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.85 129.32 25.08 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 65.03 109.894 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.503 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 17.2 Cg_endo -63.52 126.85 18.45 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.947 1.499 . . . . 75.53 110.575 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.77 -19.88 22.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.958 -1.257 . . . . 73.11 109.958 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -118.43 169.96 9.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.108 -1.23 . . . . 74.44 110.346 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -85.57 142.89 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 74.03 110.006 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -65.96 143.1 57.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 72.13 110.173 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -113.28 132.96 55.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 74.22 110.061 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 80.5 m-85 -84.1 132.87 34.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 71.25 110.381 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.496 HD12 ' CG1' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -87.51 -40.25 14.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 73.14 109.962 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 101' ' ' MET . 54.3 mt -109.75 -77.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 75.43 109.983 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 112' ' ' TYR . 3.4 ttpt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.891 . . . . 73.33 110.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.561 -1.416 . . . . 71.43 109.561 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -107.97 -13.04 15.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -1.122 . . . . 75.2 110.081 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.86 -38.58 57.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 73.21 110.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -59.9 -51.45 69.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 75.44 110.318 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.83 -31.7 72.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -0.871 . . . . 72.4 110.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 71.32 109.968 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -33.29 58.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.399 -0.813 . . . . 72.34 109.897 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -56.48 -51.31 68.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 73.24 110.769 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 ptm180 -61.61 -31.59 71.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.056 -1.027 . . . . 74.54 110.413 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -71.42 -48.07 51.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 73.02 109.671 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -68.25 -33.75 62.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.407 -0.808 . . . . 64.42 110.014 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.479 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 3.7 m -58.77 -50.48 73.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 72.22 110.313 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.4 ptm -66.83 -31.76 72.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.846 . . . . 64.33 110.039 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.505 ' N ' ' HG3' ' A' ' 13' ' ' MET . 49.8 t -74.17 -37.52 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 72.54 110.78 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 12' ' ' SER . 9.9 pt-20 -78.1 -25.71 47.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 75.42 110.913 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -95.08 -17.43 21.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.956 -1.09 . . . . 73.5 110.482 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 7.3 t-20 -49.16 126.78 13.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 74.44 110.213 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 26.4 pttt -65.91 -36.54 83.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 72.13 110.713 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 9.9 m-20 -59.63 -48.21 82.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 74.05 110.003 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.47 HG13 HD21 ' A' ' 113' ' ' LEU . 26.7 mm -62.53 -36.21 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 41.41 109.658 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -53.94 -34.0 58.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 74.34 109.804 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -63.28 -40.13 96.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 74.51 109.827 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 52.1 mt -73.28 -43.42 61.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.386 -0.821 . . . . 74.51 109.61 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 mm? -83.05 -10.09 58.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.573 -0.705 . . . . 73.43 110.175 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . 39.4 mt-30 52.23 34.93 15.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 71.04 110.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' O ' ' CZ ' ' A' ' 21' ' ' ARG . 28.5 m -84.52 -174.15 5.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 73.44 110.174 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.7 174.05 6.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 64.24 110.08 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER 179.14 85.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.198 -0.939 . . . . 74.44 110.183 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.14 158.18 24.18 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.558 -1.417 . . . . 72.2 109.558 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -19.85 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -1.132 . . . . 75.41 110.18 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 p -87.15 -22.39 25.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -0.912 . . . . 73.45 109.879 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.56 118.69 0.69 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.388 -1.485 . . . . 74.4 109.388 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 22.5 mtpt -111.37 146.08 37.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.246 -1.15 . . . . 75.42 110.481 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.18 142.95 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.219 -0.926 . . . . 73.21 109.978 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' NH1' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -119.61 120.7 37.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 74.52 110.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 76' ' ' SER . 30.7 mt -109.6 146.13 35.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -0.867 . . . . 74.44 110.032 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 137.02 53.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 74.33 110.536 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 73' ' ' HIS . . . -121.51 164.31 17.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.499 -0.751 . . . . 75.24 110.05 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' GLY . 29.2 m-85 -138.46 153.03 48.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.115 -0.99 . . . . 75.55 110.424 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -60.93 -138.74 0.01 OUTLIER Glycine 0 N--CA 1.489 2.221 0 C-N-CA 120.218 -0.991 . . . . 74.42 110.807 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -70.05 -133.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.593 -0.945 . . . . 73.54 110.823 -179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 58.82 148.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.255 -0.903 . . . . 74.32 109.993 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ASN . 14.7 pt -135.56 -165.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 75.23 110.461 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 46' ' ' ASP . 5.4 t -38.2 -28.01 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.692 -0.63 . . . . 74.52 110.964 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' ILE . 0.6 OUTLIER -41.5 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.223 -0.923 . . . . 73.34 110.345 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.7 t0 -113.47 -145.0 0.39 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.422 -0.799 . . . . 75.32 110.207 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 67.97 -154.03 0.19 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 75.34 110.418 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LYS . 82.5 m95 -34.51 -46.93 0.29 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.567 -0.708 . . . . 74.15 111.589 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 46' ' ' ASP . 2.2 p -57.73 148.08 25.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.924 -1.11 . . . . 75.35 110.403 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.28 -171.94 2.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.237 -0.914 . . . . 74.52 110.119 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.457 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.9 t30 -72.83 136.81 45.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.131 -0.981 . . . . 74.3 110.104 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HG2' HD12 ' A' ' 42' ' ' LEU . 29.1 mmm-85 -91.61 163.52 27.91 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 75.1 110.367 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 52' ' ' ARG . 35.5 Cg_endo -72.46 160.08 47.64 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 124.02 1.537 . . . . 74.11 110.709 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 11.3 mm -86.99 108.45 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 73.44 110.513 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -99.7 148.55 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.182 -0.949 . . . . 74.13 109.967 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' HE1' ' A' ' 70' ' ' MET . 0.6 OUTLIER -122.76 150.49 42.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 64.55 110.498 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.9 p -100.05 145.48 27.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 75.12 110.131 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 126.47 37.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 72.43 110.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 133.52 43.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 75.14 110.079 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -105.84 136.09 46.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.33 110.21 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.46 -172.74 2.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 73.32 110.119 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -56.63 -20.04 19.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.22 -0.925 . . . . 75.54 110.31 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 14.5 mt-10 -84.45 -10.31 57.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 72.4 110.188 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.88 12.21 80.14 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.44 -1.464 . . . . 65.11 109.44 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 88' ' ' LYS . 35.1 ttp180 -86.59 122.62 30.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -1.151 . . . . 71.53 110.26 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -84.6 131.67 34.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.944 . . . . 64.41 110.401 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -109.9 142.25 41.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.918 . . . . 73.2 109.914 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 57' ' ' THR . 43.8 m-70 -117.38 137.49 52.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.204 -0.935 . . . . 75.44 110.391 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 10.2 m-85 -124.31 135.75 53.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 74.45 110.153 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.434 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 2.9 ttm -141.6 143.84 33.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.166 -0.959 . . . . 74.35 110.263 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 149.65 38.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.935 . . . . 75.41 110.453 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.478 ' CE1' HG11 ' A' ' 83' ' ' VAL . 1.8 p90 -155.94 165.29 36.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -0.851 . . . . 72.42 110.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 m80 -102.05 157.4 16.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.161 -0.962 . . . . 74.41 109.965 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG21 ' CG2' ' A' ' 83' ' ' VAL . 75.7 t -124.87 140.63 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.238 -0.914 . . . . 63.02 110.14 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -119.08 122.13 41.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.228 -0.92 . . . . 73.53 110.462 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 24.2 p -114.62 175.1 5.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 73.32 110.16 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -79.42 -17.32 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 72.22 110.318 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.81 -24.8 14.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 74.4 110.234 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -178.65 -166.57 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.335 -0.853 . . . . 75.34 110.313 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -125.68 144.93 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.244 -0.91 . . . . 71.44 110.098 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.16 157.99 44.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 65.23 110.513 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -112.82 137.99 50.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 74.41 109.684 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.502 ' CG2' HG21 ' A' ' 74' ' ' VAL . 84.1 t -119.39 133.33 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 74.43 111.007 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 10.0 t60 -130.32 135.56 48.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.5 -0.75 . . . . 72.51 109.072 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' CB ' ' HG2' ' A' ' 101' ' ' MET . 3.8 pp -141.58 153.0 44.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 72.11 111.32 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HG2' ' CD1' ' A' ' 69' ' ' TYR . 1.1 tt0 -126.68 130.38 50.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.737 . . . . 73.21 109.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -123.31 153.33 40.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.014 -1.053 . . . . 44.51 111.067 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 65' ' ' ARG . 4.9 ttpt -119.77 144.38 47.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.515 -0.74 . . . . 75.0 109.819 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.2 pp20? -85.66 130.78 34.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 65.11 110.251 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.456 ' OG ' ' OD1' ' A' ' 97' ' ' ASP . 21.2 m -81.68 150.68 27.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 73.15 110.4 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -43.65 159.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 73.31 110.155 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER 63.67 -164.3 0.25 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 75.02 110.134 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -93.33 24.55 3.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 71.34 109.981 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -175.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 75.21 110.327 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.06 156.91 51.75 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 75.22 110.344 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -67.03 157.33 62.23 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.988 1.52 . . . . 71.52 110.213 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.456 ' OD1' ' OG ' ' A' ' 90' ' ' SER . 4.6 m-20 -127.85 117.31 21.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.153 -0.967 . . . . 73.31 110.437 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 9' ' ' ARG . 65.4 m-85 -68.45 136.74 53.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 73.35 109.876 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -119.33 -19.94 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 74.15 110.454 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 37.8 m-20 -145.2 129.71 17.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 75.14 110.381 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.519 ' HG2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -148.92 120.01 7.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.474 -0.766 . . . . 74.25 110.174 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.7 p90 -146.95 163.18 36.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.22 -0.925 . . . . 75.23 109.961 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 58.7 t -124.69 151.75 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 75.22 110.473 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.55 115.58 30.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 75.14 110.152 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 33.9 t -106.98 128.08 26.78 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 75.23 110.319 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -64.24 126.33 16.87 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.84 1.442 . . . . 72.41 110.367 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.63 13.81 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.971 -1.252 . . . . 63.22 109.971 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 29.0 mt-10 -119.17 161.04 21.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.136 -1.214 . . . . 63.22 109.891 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 145.29 37.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 72.1 110.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -62.31 125.92 25.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.946 . . . . 74.23 110.37 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.527 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.0 t80 -94.35 128.06 40.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 73.14 109.976 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.48 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 21.2 p90 -76.41 137.17 39.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.917 . . . . 74.24 110.596 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.47 HD21 HG13 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -93.91 -37.62 11.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 74.33 109.947 179.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG22 HD11 ' A' ' 114' ' ' ILE . 26.0 mt -111.98 -46.59 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 75.13 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 1.7 ttpt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.296 -0.877 . . . . 75.35 110.208 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.493 -1.443 . . . . 74.32 109.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -147.99 27.57 0.96 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -1.138 . . . . 73.32 110.257 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 -36.36 69.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 74.05 109.818 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -64.9 -48.2 75.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 72.24 109.863 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.35 -31.35 67.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.931 . . . . 73.43 109.86 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.9 -41.54 98.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.393 -0.817 . . . . 74.24 109.767 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -36.4 52.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.886 . . . . 75.24 109.669 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -56.04 -51.89 66.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 72.31 110.483 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 2.5 ptt180 -59.84 -37.94 80.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.129 -0.982 . . . . 74.21 109.897 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -65.25 -47.53 76.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 70.02 109.743 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -30.82 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 73.31 109.78 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.4 -44.92 95.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 75.13 110.253 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.527 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.8 ptp -72.54 -30.69 64.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.912 . . . . 74.53 109.964 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.1 t -72.11 -40.73 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.861 . . . . 71.23 110.614 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 12' ' ' SER . 2.4 pp20? -78.19 -21.05 50.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 74.33 110.613 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 27.0 pttt -96.76 -15.03 21.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.12 -0.987 . . . . 75.21 110.411 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 120.71 6.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 71.34 110.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -65.5 -26.1 67.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 72.32 110.381 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 42.5 m-20 -72.04 -44.03 64.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.172 -0.955 . . . . 74.44 110.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.3 -35.62 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 72.32 110.268 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' GLN . 17.0 ttm180 -52.13 -35.79 49.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.116 -0.99 . . . . 73.45 110.128 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.09 91.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 72.15 110.081 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 32.1 mt -73.1 -46.46 51.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 75.44 109.476 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -88.21 5.64 40.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.621 -0.674 . . . . 75.21 110.125 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 21' ' ' ARG . 40.1 mt-30 48.74 30.45 2.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.127 -0.983 . . . . 73.32 109.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.458 ' SG ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 t -68.27 178.82 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.29 -0.881 . . . . 65.51 110.357 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -136.77 168.49 19.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 64.34 110.187 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 17.3 t0 -179.22 94.96 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.287 -0.883 . . . . 72.02 110.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' O ' ' HE2' ' A' ' 33' ' ' LYS . . . -137.17 156.57 23.44 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.563 -1.415 . . . . 72.13 109.563 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 31' ' ' THR . 12.5 tt -57.23 -28.19 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -1.151 . . . . 74.33 110.043 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' HG23 ' A' ' 30' ' ' ILE . 14.6 t -79.22 -20.99 46.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 75.52 110.106 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.83 134.15 2.37 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.637 -1.385 . . . . 73.13 109.637 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -122.96 143.84 49.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -1.156 . . . . 75.34 110.249 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 13.7 tp10 -73.15 143.14 47.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 62.14 109.927 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -115.1 117.18 29.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 73.32 110.248 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 27.9 mt -109.77 146.92 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.828 . . . . 74.1 110.236 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 141.51 46.96 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.276 -0.89 . . . . 75.3 109.736 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.8 158.48 43.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 70.45 110.9 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 9.1 p90 -144.04 157.34 44.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 74.22 109.759 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 72' ' ' PHE . . . -74.49 -168.26 19.6 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.787 -1.325 . . . . 72.34 109.787 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 11.0 mt-10 -80.69 134.47 35.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.478 -1.013 . . . . 74.52 110.355 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 1.2 mt 169.64 129.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.298 -0.876 . . . . 75.04 110.151 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.7 pp -43.21 149.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 73.51 109.912 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 45' ' ' ASN . 10.6 t -169.94 -33.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 64.32 110.636 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 6.1 t30 59.4 112.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.92 . . . . 75.45 109.646 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 1.5 p30 41.3 -160.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 74.53 110.295 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 55.62 -160.74 0.18 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 74.03 109.92 -179.656 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.98 -79.51 0.61 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.052 -1.03 . . . . 75.52 110.269 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 15.3 t -178.5 -38.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.142 -0.974 . . . . 73.0 110.276 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' THR . 1.4 mtt180 57.35 -125.37 1.75 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.364 -0.835 . . . . 74.11 110.356 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 8.7 p-10 -81.27 76.87 8.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.961 -1.087 . . . . 74.52 110.802 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 0.0 OUTLIER -124.92 125.02 25.44 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.935 . . . . 65.04 109.767 179.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.21 159.55 53.36 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 O-C-N 123.87 1.458 . . . . 74.02 110.708 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.403 HG21 HD11 ' A' ' 54' ' ' ILE . 24.7 mm -111.27 137.76 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 64.12 110.06 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.0 t -97.36 142.29 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 74.53 110.2 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 m -121.41 145.83 47.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.211 -0.93 . . . . 74.42 110.118 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 33.8 p -99.93 145.66 27.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.316 -0.865 . . . . 70.15 110.342 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -133.8 126.37 30.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.304 -0.873 . . . . 73.31 110.138 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.95 141.96 30.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.871 . . . . 75.22 110.042 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -113.75 143.04 45.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.007 . . . . 72.24 110.462 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.72 -170.74 2.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.24 -0.912 . . . . 74.21 110.037 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 2.4 tmtt? -62.57 -19.7 63.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -0.915 . . . . 75.34 110.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.78 -8.03 56.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 63.31 110.278 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.0 80.87 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.741 -1.344 . . . . 73.52 109.741 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.4 ttt180 -67.85 121.68 16.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -1.206 . . . . 75.34 110.035 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 2.3 m -82.23 131.13 35.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 74.35 110.598 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -113.75 142.44 46.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 70.41 109.731 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -120.08 142.71 48.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.087 -1.008 . . . . 73.42 110.612 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 72.6 m-85 -126.38 125.87 42.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 70.33 109.96 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 7' ' ' PHE . 2.7 ttt -134.53 137.88 44.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.218 -0.926 . . . . 75.31 110.45 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HG2' ' ND1' ' A' ' 84' ' ' HIS . 3.9 mtt180 -138.41 142.78 39.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.882 . . . . 74.25 109.974 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CZ ' ' CG1' ' A' ' 83' ' ' VAL . 19.7 p90 -152.62 155.18 36.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 65.42 110.403 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' HD11 ' A' ' 82' ' ' LEU . 23.6 m170 -101.01 160.02 14.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.216 -0.927 . . . . 71.01 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 75' ' ' GLU . 56.1 t -129.18 148.95 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.839 . . . . 74.23 109.895 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -127.68 117.82 22.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 74.44 110.736 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.472 ' OG ' ' CD2' ' A' ' 36' ' ' LEU . 2.3 t -114.13 175.24 5.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.378 -0.827 . . . . 73.42 110.203 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.23 -15.91 59.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.301 -0.874 . . . . 75.24 110.052 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -93.29 -28.56 16.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.304 -0.873 . . . . 74.02 109.952 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 173.1 -174.58 0.05 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 74.42 110.05 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 mp -115.24 142.44 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 74.42 110.25 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.1 157.98 40.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 75.24 110.403 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 73' ' ' HIS . 12.2 tp -113.99 133.05 55.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 71.23 109.465 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.542 ' CG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.4 t -120.76 126.32 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 72.23 111.146 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' ND1' ' HG2' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -124.22 128.34 49.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.824 . . . . 73.4 109.222 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.539 HD13 ' CE1' ' A' ' 98' ' ' PHE . 4.2 pp -128.66 148.05 50.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 74.2 111.361 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 3.2 mt-10 -119.46 131.06 55.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 73.22 109.221 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -121.01 153.12 37.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 75.21 111.2 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -129.05 144.25 51.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.696 -0.628 . . . . 73.43 109.381 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 7.4 pt-20 -85.71 139.76 31.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 64.02 110.449 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.0 m -118.66 133.24 56.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.395 -0.815 . . . . 62.45 109.666 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 67.9 -148.68 0.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.141 -0.974 . . . . 75.34 109.927 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -58.98 -171.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.043 -1.035 . . . . 73.22 110.373 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 65.59 0.69 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 75.43 110.419 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.63 -157.31 0.52 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 72.23 110.289 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.53 128.51 83.89 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 75.52 110.233 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -61.65 153.89 64.0 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 123.89 1.468 . . . . 74.1 110.156 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -120.39 126.58 50.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.115 -0.991 . . . . 64.42 110.344 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 85' ' ' LEU . 22.8 m-85 -60.18 139.07 57.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 72.1 110.047 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.48 -23.06 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 75.33 110.016 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -147.54 129.59 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 72.44 109.733 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.51 ' HB2' ' CD1' ' A' ' 114' ' ' ILE . 15.6 ttt -148.81 131.91 16.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.057 -1.027 . . . . 74.13 110.985 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 24.4 p90 -148.54 155.3 40.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 75.43 109.903 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 p -120.87 142.24 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.043 -1.036 . . . . 75.34 110.469 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.1 114.97 29.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 72.23 109.891 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.74 130.66 22.68 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.226 -0.921 . . . . 74.22 109.979 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -67.18 126.52 15.2 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 123.823 1.433 . . . . 73.22 110.484 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.85 -18.7 24.96 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.178 -1.169 . . . . 70.33 110.178 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.78 163.31 15.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.046 -1.267 . . . . 74.23 110.485 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.75 127.55 32.63 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.83 . . . . 75.41 110.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 138.73 29.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.179 -0.951 . . . . 72.51 110.039 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 1.3 t80 -117.86 129.07 55.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.268 -0.895 . . . . 73.04 110.262 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 16.1 p90 -82.35 141.37 32.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.9 . . . . 73.25 110.239 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.72 -27.56 12.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 75.22 110.236 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 42.3 mt -111.75 -47.42 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 74.45 110.544 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 72.1 110.25 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.566 -1.414 . . . . 61.13 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 69.4 p -169.32 -60.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -1.13 . . . . 54.34 110.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' OD2' ' O ' ' A' ' 54' ' ' ILE . 1.7 p30 -60.05 -36.64 77.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 71.52 110.231 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.1 m -54.06 -51.96 62.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 71.44 110.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -55.76 -30.46 61.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 63.24 109.91 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -40.48 96.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.869 . . . . 72.44 110.232 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.67 -36.68 60.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -0.848 . . . . 74.31 109.836 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.14 -45.85 75.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.857 . . . . 74.31 110.432 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.7 ptm180 -74.33 -35.46 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.924 . . . . 74.42 110.484 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -65.1 -41.19 95.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 71.0 110.219 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -33.92 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.221 -0.925 . . . . 75.41 110.126 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -52.63 -49.09 65.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.314 -0.866 . . . . 70.03 110.289 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.5 ppp? -71.72 -29.57 64.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.291 -0.881 . . . . 74.34 110.083 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.505 ' N ' ' HG3' ' A' ' 13' ' ' MET . 19.8 t -74.67 -44.05 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 75.13 110.488 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -77.53 -22.64 50.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.16 -0.963 . . . . 74.44 110.346 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -97.24 -14.84 21.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 75.44 110.107 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.422 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.1 t30 -46.82 121.68 3.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 62.14 110.392 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.54 -31.1 72.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.953 . . . . 61.34 110.099 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.68 -42.16 78.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.5 110.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 HD11 ' A' ' 20' ' ' ILE . 48.4 mm -71.57 -33.95 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 75.52 110.201 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.5 mtp-105 -55.06 -36.79 65.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 72.15 110.184 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -36.56 84.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 75.31 110.02 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HA ' HD21 ' A' ' 23' ' ' LEU . 44.8 mt -73.66 -42.57 61.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.208 -0.933 . . . . 74.15 109.75 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 2.4 mm? -78.98 -10.0 59.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 74.23 110.507 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' CYS . 26.0 mt-30 55.5 33.55 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -0.954 . . . . 74.13 109.682 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 24' ' ' LEU . 98.9 m -56.44 -157.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.367 -0.833 . . . . 75.22 110.608 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.26 171.76 19.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.89 . . . . 75.12 110.161 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 18.9 p-10 -170.46 99.56 0.26 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.225 -0.922 . . . . 75.13 110.292 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -156.75 165.65 33.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.764 -1.334 . . . . 61.54 109.764 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 tp -65.1 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.293 -1.122 . . . . 74.44 110.377 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -97.28 -19.96 18.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.22 -0.925 . . . . 72.11 110.396 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.84 118.75 0.84 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.941 -1.264 . . . . 73.11 109.941 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -118.49 130.24 55.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 75.41 109.781 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -73.13 136.97 44.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.155 -0.965 . . . . 70.41 110.588 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 122.12 31.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.392 -0.818 . . . . 74.45 109.702 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 76' ' ' SER . 72.6 mt -109.56 143.12 39.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.098 -1.001 . . . . 72.43 110.926 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.88 129.56 38.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.429 -0.794 . . . . 75.11 109.698 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' CB ' HG23 ' A' ' 74' ' ' VAL . . . -120.49 163.86 17.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 74.11 110.518 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -159.36 171.29 20.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.301 -0.875 . . . . 74.13 109.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . -112.86 169.83 13.15 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.245 -1.542 . . . . 74.43 109.245 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 1.8 mt-10 -132.57 -155.59 0.69 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.404 -1.056 . . . . 74.33 110.302 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 54.68 96.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 72.14 110.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.8 pt -115.96 -171.78 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 74.11 110.178 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 44' ' ' THR . 97.4 m -107.56 73.09 0.89 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 74.33 109.988 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 177.62 172.9 0.56 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.248 -0.908 . . . . 73.21 109.624 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.64 22.21 9.31 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.439 -0.788 . . . . 72.43 110.315 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -98.44 -160.01 0.78 Allowed 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.343 0.592 . . . . 75.13 110.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' HB ' ' A' ' 49' ' ' THR . 5.4 m95 -101.72 -58.57 1.86 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.433 -0.792 . . . . 75.4 109.54 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 171.16 148.24 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.522 -0.736 . . . . 73.43 109.95 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.41 57.51 1.06 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 73.44 109.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.43 33.0 18.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.302 -0.874 . . . . 74.43 109.915 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 157.93 85.18 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 70.34 110.116 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.5 159.5 53.38 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 O-C-N 124.105 1.582 . . . . 63.22 110.737 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 HD12 ' HA3' ' A' ' 40' ' ' GLY . 19.8 mm -85.98 139.96 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.397 -0.815 . . . . 73.1 109.509 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 55' ' ' VAL . 9.2 p -94.89 143.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.257 -0.902 . . . . 73.23 110.154 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.577 ' CB ' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -123.98 151.84 43.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.457 -0.777 . . . . 73.33 110.608 -179.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -100.02 147.36 25.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 71.54 110.309 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 127.27 36.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 74.11 110.047 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -141.85 125.42 16.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 74.23 110.185 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -102.98 139.3 38.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 72.43 110.301 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -92.52 -172.2 3.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.926 . . . . 73.04 110.223 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG2' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -65.25 -10.95 36.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.247 -0.908 . . . . 75.45 110.065 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' HG3' ' HG2' ' A' ' 62' ' ' LYS . 76.9 mt-10 -86.27 -13.84 45.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 72.42 110.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.22 66.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.558 -1.417 . . . . 72.33 109.558 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -94.71 126.58 40.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -1.187 . . . . 74.44 110.172 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 23.0 m -93.64 141.04 28.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.289 -0.882 . . . . 74.22 110.304 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -105.56 146.2 29.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 74.23 109.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.577 ' NE2' ' CB ' ' A' ' 56' ' ' SER . 63.7 t-80 -117.2 136.13 53.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 72.45 110.286 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 74.5 m-85 -125.95 119.65 28.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 74.12 110.034 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE3' ' HB3' ' A' ' 7' ' ' PHE . 12.4 ttt -137.77 140.51 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.175 -0.953 . . . . 71.23 110.158 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -149.88 149.47 30.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 72.45 110.714 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.14 156.97 42.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.385 -0.822 . . . . 72.24 109.819 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 73' ' ' HIS . 17.2 m-70 -92.3 154.6 18.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 74.54 110.495 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 38' ' ' ALA . 19.2 t -126.62 131.21 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 72.33 109.85 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.02 123.95 47.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 63.42 110.355 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.435 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 1.2 t -109.21 170.38 8.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 71.34 110.097 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -76.28 -16.43 59.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 72.41 110.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -29.17 11.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 74.3 110.34 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -170.09 -164.26 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.013 . . . . 75.33 110.478 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.05 141.75 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 75.45 109.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.88 157.23 45.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 42.54 110.44 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -114.91 137.95 51.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.39 -0.819 . . . . 72.43 109.831 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG13 HG21 ' A' ' 14' ' ' VAL . 44.8 t -114.88 130.15 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.154 -0.966 . . . . 74.33 110.772 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . 26.2 m-70 -128.99 124.3 34.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 75.31 109.491 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -130.62 150.15 51.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.086 -1.009 . . . . 74.23 111.051 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 69' ' ' TYR . 1.2 mp0 -121.46 136.51 54.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.536 -0.727 . . . . 72.5 109.362 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.82 150.92 49.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.886 -1.134 . . . . 74.01 111.1 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 144.0 48.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.565 -0.71 . . . . 73.12 109.394 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -94.84 133.03 38.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.095 -1.003 . . . . 73.52 110.979 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 92' ' ' GLN . 4.0 m -86.66 152.04 22.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.514 -0.741 . . . . 74.44 109.422 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -36.02 -29.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.518 -0.739 . . . . 74.23 110.857 -179.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 90' ' ' SER . 28.8 tt0 -56.08 165.26 1.02 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 70.33 110.048 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 92' ' ' GLN . 11.4 t30 -102.08 54.76 0.8 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 71.32 110.443 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.411 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -130.36 -159.39 0.96 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.143 -0.973 . . . . 74.25 110.455 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -79.02 148.24 71.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.343 -0.848 . . . . 73.35 110.253 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.37 148.14 48.28 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 O-C-N 124.099 1.578 . . . . 75.01 110.257 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.07 128.17 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.927 . . . . 73.15 110.183 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -59.03 138.35 57.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 75.42 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 99' ' ' ILE . 1.3 pt -118.97 -20.78 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 74.31 109.817 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 28.4 m-20 -141.6 130.0 22.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.356 -0.84 . . . . 75.13 109.883 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -148.92 118.53 6.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 62.24 110.621 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 44.8 p90 -147.43 158.28 43.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 74.43 109.863 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 28.5 t -122.49 150.85 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.089 -1.007 . . . . 74.11 110.5 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' N ' HG11 ' A' ' 103' ' ' VAL . 13.9 t0 -112.65 118.52 35.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.886 . . . . 74.24 109.936 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 108' ' ' GLU . 40.2 t -110.1 124.93 32.18 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 74.21 110.267 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 17.1 Cg_exo -63.13 127.2 19.61 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.891 1.469 . . . . 74.3 110.424 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.65 -20.3 24.26 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.744 -1.342 . . . . 74.32 109.744 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HB2' HG12 ' A' ' 105' ' ' VAL . 56.5 mm-40 -118.77 156.33 29.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -1.149 . . . . 65.54 110.053 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 133.1 42.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.973 . . . . 75.41 109.927 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 10.2 ptp180 -61.07 143.54 55.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 72.41 110.335 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -120.42 133.24 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.397 -0.814 . . . . 73.12 110.357 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.5 m-85 -79.72 147.07 32.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 73.12 110.28 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.422 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.67 -41.02 6.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.246 -0.909 . . . . 74.15 110.493 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 61.1 mt -107.46 -68.4 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 73.32 110.417 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 114' ' ' ILE . 4.6 pttp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.497 -0.752 . . . . 75.22 110.805 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' C ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 61.13 109.527 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' OG ' ' C ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER 54.44 17.7 1.68 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.238 -1.154 . . . . 54.34 110.25 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' HE2' ' A' ' 70' ' ' MET . 1.9 p30 -76.84 -30.26 56.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 71.52 110.364 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -56.65 -45.98 81.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.218 -0.926 . . . . 71.44 110.355 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.05 -32.65 71.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.173 -0.954 . . . . 63.24 110.493 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.8 95.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.153 -0.967 . . . . 72.44 110.199 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -35.76 57.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 74.31 109.761 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -56.86 -51.72 67.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 74.31 110.356 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.9 ptm180 -66.41 -32.0 73.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 74.42 109.948 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.56 -50.96 56.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.419 -0.8 . . . . 71.0 109.494 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.491 ' CG2' ' CB ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -65.19 -34.69 72.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 75.41 109.857 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 21.0 t -62.56 -46.94 86.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.387 -0.821 . . . . 70.03 110.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.553 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.21 -29.83 64.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -0.969 . . . . 74.34 110.02 179.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' N ' ' HG3' ' A' ' 13' ' ' MET . 72.3 t -72.12 -40.7 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 75.13 110.555 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 1.3 pp20? -77.08 -19.97 56.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.003 . . . . 74.44 110.363 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -100.07 -16.12 17.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.139 -0.976 . . . . 75.44 110.401 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' MET . 2.6 t30 -53.95 121.68 8.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 62.14 110.207 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -42.55 67.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.204 -0.935 . . . . 61.34 110.181 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 9.3 m-20 -61.65 -43.84 98.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 73.5 110.197 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 111' ' ' TYR . 51.5 mm -74.67 -35.63 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 75.52 109.994 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -50.95 -41.4 59.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 72.15 109.751 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.5 70.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.852 . . . . 75.31 109.95 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 19' ' ' ASP . 11.5 mt -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.301 -0.874 . . . . 74.15 109.8 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HA ' ' CE ' ' A' ' 79' ' ' LYS . 1.8 mm? -84.77 -10.03 57.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.344 -0.848 . . . . 74.23 110.184 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 53.66 41.9 31.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.27 -0.894 . . . . 74.13 110.014 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.1 -168.35 1.31 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.33 -0.856 . . . . 75.22 110.27 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 3.6 m-20 -93.69 169.24 10.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.91 . . . . 75.12 110.182 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-20 176.9 86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.362 -0.836 . . . . 75.13 110.276 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.73 149.26 17.21 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.251 -1.539 . . . . 61.54 109.251 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.68 -27.67 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -1.166 . . . . 74.44 110.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -89.21 -12.42 40.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 72.11 110.536 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.41 125.59 1.0 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.753 -1.339 . . . . 73.11 109.753 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.72 161.99 19.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -1.063 . . . . 75.41 109.778 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -72.8 143.14 48.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.149 -0.97 . . . . 70.41 109.451 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -92.34 114.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 74.45 110.817 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 15' ' ' GLU . 25.0 mt -109.73 147.34 33.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.44 -0.787 . . . . 72.43 109.336 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 131.15 55.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 75.11 111.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -137.8 151.87 48.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.731 -0.606 . . . . 74.11 109.569 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.3 p90 -157.29 167.22 30.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.024 -1.048 . . . . 74.13 110.431 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.538 ' CA ' HD13 ' A' ' 54' ' ' ILE . . . -118.82 149.56 18.19 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.194 -1.563 . . . . 74.43 109.194 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -151.84 165.46 34.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.293 -1.122 . . . . 74.33 110.548 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -178.64 5.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 72.14 110.026 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.48 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -57.28 161.55 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 74.11 110.491 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 43' ' ' ILE . 15.3 m -170.22 -37.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.643 -0.661 . . . . 74.33 109.559 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 44' ' ' THR . 48.4 p30 -179.07 -132.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.412 -0.805 . . . . 73.21 109.795 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -107.14 22.53 15.84 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.009 -1.057 . . . . 72.43 110.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' C ' ' CG ' ' A' ' 48' ' ' TRP . 2.5 mmmt -114.36 -151.96 0.49 Allowed 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.806 -0.559 . . . . 75.13 110.398 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CG ' ' C ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -174.15 -33.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.338 -0.851 . . . . 75.4 110.147 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -62.33 -141.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 73.43 110.125 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 49' ' ' THR . 18.2 mmt180 56.92 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 73.44 110.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASN . 15.4 p-10 -80.41 108.21 13.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.136 -0.978 . . . . 74.43 110.516 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -105.52 164.67 14.57 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 70.34 109.879 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 52' ' ' ARG . 20.9 Cg_endo -63.46 160.06 37.43 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 123.872 1.459 . . . . 63.22 109.532 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.538 HD13 ' CA ' ' A' ' 40' ' ' GLY . 25.8 mm -94.52 131.31 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.918 . . . . 73.1 110.576 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.21 151.99 6.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.363 -0.836 . . . . 73.23 109.843 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 150.46 50.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 73.33 110.758 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.1 p -101.37 146.05 28.1 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.355 -0.841 . . . . 71.54 109.67 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 6.7 ptpt -129.22 124.65 35.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 74.11 110.722 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -123.87 134.93 53.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 74.23 109.558 179.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -121.69 136.89 54.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.992 . . . . 72.43 110.727 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.14 -164.15 1.12 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.576 -0.703 . . . . 73.04 109.784 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -15.7 63.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 75.45 110.092 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -87.21 -13.71 43.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 72.42 110.224 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.62 -0.15 79.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.675 -1.37 . . . . 72.33 109.675 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.3 tpp180 -67.92 125.41 26.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.177 -1.19 . . . . 74.44 110.002 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 7.3 m -97.8 129.51 44.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 74.22 110.645 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -105.93 136.72 45.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 74.23 109.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 57' ' ' THR . 15.6 m170 -118.2 142.51 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 72.45 110.787 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' CE1' ' OE2' ' A' ' 86' ' ' GLU . 70.1 m-85 -124.95 121.29 34.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.337 -0.852 . . . . 74.12 109.693 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.453 ' CE ' HG21 ' A' ' 54' ' ' ILE . 2.6 ttt -135.07 144.16 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.093 -1.004 . . . . 71.23 110.609 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.8 143.62 25.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.353 -0.842 . . . . 72.45 110.156 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.556 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 10.1 p90 -147.62 152.47 37.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 72.24 110.097 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.534 ' CD2' HD21 ' A' ' 82' ' ' LEU . 21.2 m170 -90.06 155.76 18.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 74.54 110.451 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 HG21 ' HB1' ' A' ' 38' ' ' ALA . 10.6 t -128.92 130.83 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -0.867 . . . . 72.33 109.988 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.94 128.8 54.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.174 -0.954 . . . . 63.42 110.358 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.449 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.6 172.14 7.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 71.34 110.092 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -13.69 59.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 72.41 110.213 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -106.76 -28.83 9.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.302 -0.874 . . . . 74.3 110.534 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -170.75 -168.19 0.65 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 75.33 110.547 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.67 144.5 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.312 -0.868 . . . . 75.45 109.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.02 157.82 43.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 42.54 110.568 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -114.9 135.96 53.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.38 -0.825 . . . . 72.43 109.484 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 41.6 t -118.4 127.22 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 74.33 111.026 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 1.3 m-70 -123.21 132.88 54.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 75.31 109.598 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 3.6 pp -141.74 153.89 44.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.98 -1.075 . . . . 74.23 111.107 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -130.1 126.87 38.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.484 -0.76 . . . . 72.5 109.311 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -111.17 150.64 29.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 74.01 110.92 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 99' ' ' ILE . 16.3 ttpt -134.66 138.56 44.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.582 -0.699 . . . . 73.12 109.612 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -99.1 132.44 44.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 73.52 110.299 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.8 p -117.83 150.92 38.35 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.269 -0.894 . . . . 74.44 110.135 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 68.69 -150.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.275 -0.891 . . . . 74.23 109.867 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -54.8 -163.51 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 70.33 110.453 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.75 41.53 0.73 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.18 -0.95 . . . . 71.32 110.632 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.75 -172.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 74.25 110.032 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 29.5 pt20 -73.18 133.39 81.31 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 73.35 110.038 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -50.8 147.87 17.52 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 123.83 1.437 . . . . 75.01 110.175 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.76 125.51 54.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 73.15 110.429 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.476 ' HB3' ' CD1' ' A' ' 114' ' ' ILE . 73.7 m-85 -59.53 134.67 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 75.42 109.76 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.453 HD12 ' OE1' ' A' ' 86' ' ' GLU . 5.5 pt -121.77 -15.68 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.183 -0.948 . . . . 74.31 110.56 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 56.5 m-80 -155.89 131.7 9.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 75.13 110.483 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.523 ' HE1' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.63 127.22 12.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 62.24 110.325 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 21.6 p90 -147.23 149.69 33.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.226 -0.921 . . . . 74.43 110.372 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 9.1 p -120.94 150.04 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.203 -0.936 . . . . 74.11 110.386 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.44 117.01 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.356 -0.84 . . . . 74.24 110.224 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 2.4 p -116.19 131.21 23.9 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 74.21 110.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 14.1 Cg_exo -64.5 132.38 33.1 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.89 1.468 . . . . 74.3 110.742 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.22 21.51 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.105 -1.198 . . . . 74.32 110.105 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.483 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.3 mt-10 -118.88 164.37 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.073 -1.251 . . . . 65.54 110.373 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.7 129.57 34.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 75.41 110.257 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -52.63 139.83 24.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 72.41 110.253 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 11.8 t80 -117.6 126.32 52.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.359 -0.838 . . . . 73.12 109.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 32.9 m-85 -76.88 137.39 39.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 73.12 110.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -37.74 12.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 74.15 110.093 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.499 HD13 HG21 ' A' ' 114' ' ' ILE . 54.8 mt -116.87 -51.84 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 73.32 110.193 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 75.22 110.154 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.48 -1.448 . . . . 64.3 109.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.67 -3.35 9.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -1.152 . . . . 54.23 109.988 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 4' ' ' THR . 1.7 p30 -56.39 -33.43 65.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 63.31 110.1 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.506 ' N ' ' OD2' ' A' ' 3' ' ' ASP . 19.5 m -58.62 -44.42 89.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 75.21 109.869 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -67.76 -35.26 78.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 74.2 109.721 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 68.8 mt -61.58 -38.8 88.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 75.3 109.974 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.07 -35.25 64.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.268 -0.895 . . . . 64.55 109.479 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' SER . 7.1 m-20 -62.43 -51.58 66.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 70.2 110.176 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 10.0 ptm180 -68.18 -41.65 81.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.164 -0.96 . . . . 73.32 109.914 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -59.59 -49.24 78.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 73.22 109.822 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.56 -36.52 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.251 -0.906 . . . . 72.2 109.986 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -57.32 -51.05 70.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 75.01 109.929 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 6.3 ptt? -65.32 -31.73 73.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.276 -0.89 . . . . 64.54 109.835 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.7 t -73.97 -35.67 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 74.1 110.442 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' SER . 8.7 pt-20 -80.65 -21.04 41.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 74.14 110.678 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 6.9 ptmm? -98.57 -17.02 18.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 73.31 110.406 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' ND2' HD23 ' A' ' 113' ' ' LEU . 2.0 t30 -47.84 119.48 2.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 75.21 110.022 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.7 pttm -58.01 -38.11 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 75.32 110.185 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 21.5 m-20 -57.51 -49.53 76.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.915 . . . . 71.22 109.531 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 46.8 mm -67.49 -33.94 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.891 . . . . 74.51 109.433 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -52.65 -35.52 55.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.448 -0.782 . . . . 74.24 109.457 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -64.53 -40.35 95.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 73.24 109.763 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 111' ' ' TYR . 58.5 mt -71.97 -42.31 66.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 65.03 109.319 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -75.48 -10.16 59.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.521 -0.737 . . . . 74.4 110.184 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.29 30.09 5.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 72.33 109.815 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.421 ' HB3' HD11 ' A' ' 24' ' ' LEU . 27.3 p -89.17 -157.44 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.35 -0.844 . . . . 72.55 110.493 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 1.1 m-20 -128.03 168.73 14.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 73.3 110.098 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 25.4 t0 -178.14 88.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.348 -0.845 . . . . 61.44 110.088 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 159.39 27.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.674 -1.37 . . . . 70.41 109.674 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -56.51 -21.51 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -1.127 . . . . 63.31 110.092 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' HG23 ' A' ' 30' ' ' ILE . 14.8 t -80.99 -20.0 42.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 74.51 110.048 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' C ' ' HG3' ' A' ' 33' ' ' LYS . . . 169.38 138.73 2.55 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.29 -1.524 . . . . 64.41 109.29 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' C ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -125.73 149.35 48.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.072 -1.252 . . . . 73.33 110.466 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 2.2 tp10 -73.68 143.13 46.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 71.1 109.903 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -109.71 123.19 49.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 75.12 110.6 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 76' ' ' SER . 13.5 mt -109.66 147.73 32.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.485 -0.759 . . . . 73.31 109.946 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -113.37 133.87 54.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.39 -0.819 . . . . 74.53 110.999 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB3' HG13 ' A' ' 74' ' ' VAL . . . -140.09 136.23 33.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.576 -0.703 . . . . 61.54 109.591 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.6 p90 -135.28 165.2 25.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.121 -0.987 . . . . 73.12 110.639 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -72.76 -135.92 0.22 Allowed Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.557 -1.417 . . . . 60.14 109.557 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 179.33 5.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.263 -1.139 . . . . 74.35 110.328 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.37 106.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 74.03 110.277 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 1.1 pp -133.1 171.21 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.236 -0.915 . . . . 72.25 110.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.6 t -171.46 29.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.37 -0.831 . . . . 75.44 110.064 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -90.75 -151.85 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 73.3 110.292 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' O ' ' A' ' 47' ' ' LYS . 26.0 p-10 -106.4 -139.94 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 74.34 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 pttm -56.31 -144.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.605 0.716 . . . . 74.43 111.426 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 m-90 -32.98 -42.57 0.08 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.562 -0.711 . . . . 74.43 112.118 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.487 ' HB ' ' OD1' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -44.04 130.82 5.98 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.823 -1.173 . . . . 73.14 109.715 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -151.25 29.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.083 -1.011 . . . . 73.22 110.65 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.192 -0.943 . . . . 64.43 110.068 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HG2' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.24 153.01 45.59 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 74.23 110.372 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HD2' ' HG3' ' A' ' 52' ' ' ARG . 38.2 Cg_endo -73.79 159.27 45.62 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.062 1.559 . . . . 74.33 110.283 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 21.8 mm -115.39 138.16 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.376 -0.827 . . . . 73.25 110.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -101.38 151.4 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 75.25 110.095 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.3 p -129.19 151.45 49.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 65.33 110.462 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 29.1 p -105.82 146.55 29.75 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.49 -0.756 . . . . 75.21 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -135.21 127.11 29.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.03 110.407 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -136.14 125.06 24.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 73.21 109.923 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -111.25 136.76 49.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.214 -0.929 . . . . 74.34 110.351 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.82 -165.19 1.29 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.891 . . . . 70.41 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -9.54 52.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 73.41 110.271 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -88.17 -12.42 43.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 71.24 110.346 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.77 15.52 65.4 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.69 -1.364 . . . . 51.3 109.69 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 11.2 ttm180 -97.28 122.42 40.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -1.169 . . . . 75.03 110.133 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m -93.9 134.78 35.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 73.23 110.415 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.44 ' NE2' ' CD ' ' A' ' 65' ' ' ARG . 36.1 m80 -109.02 149.05 29.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 75.14 109.885 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -120.77 137.94 54.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.214 -0.928 . . . . 73.52 110.731 -179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 48.5 m-85 -127.18 125.86 41.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 74.31 109.592 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.457 ' HG2' ' CE2' ' A' ' 72' ' ' PHE . 5.6 ttm -141.24 147.85 38.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.002 . . . . 73.22 110.762 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' NE ' ' CE1' ' A' ' 84' ' ' HIS . 48.2 mtt180 -147.64 144.36 28.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.401 -0.812 . . . . 74.52 109.899 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -148.81 157.15 43.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -0.955 . . . . 75.11 109.94 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.561 ' CE1' HD12 ' A' ' 82' ' ' LEU . 14.5 m80 -98.5 150.11 22.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -0.883 . . . . 75.43 109.731 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' ALA . 13.8 t -124.22 138.39 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 74.4 110.46 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.66 119.7 34.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.267 -0.895 . . . . 64.25 110.243 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.531 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 53.5 p -111.15 172.99 6.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.915 . . . . 74.54 110.29 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.44 -14.37 60.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 72.32 110.276 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.65 -27.83 12.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -0.882 . . . . 75.13 110.389 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -173.91 -159.65 0.1 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.254 -0.904 . . . . 73.5 110.254 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 4.8 mt -132.41 142.49 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 63.33 109.952 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -136.89 154.68 50.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 72.51 110.758 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 73' ' ' HIS . 8.7 tt -115.1 138.16 51.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 75.3 109.616 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG22 ' CG2' ' A' ' 74' ' ' VAL . 12.3 t -104.92 138.01 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.092 -1.005 . . . . 74.32 111.213 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.79 117.89 20.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.547 -0.72 . . . . 70.42 109.547 179.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 2.6 pp -132.12 153.38 50.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.977 -1.077 . . . . 75.45 110.975 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' O ' HG12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -132.05 119.16 20.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.408 -0.807 . . . . 73.32 109.512 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -118.97 148.82 42.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.948 . . . . 74.4 110.549 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.471 ' HG2' HG23 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -134.47 143.09 47.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.38 -0.825 . . . . 74.24 110.163 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -102.39 139.54 37.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 75.13 110.098 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' LYS . 30.8 p -126.77 146.52 50.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.172 -0.955 . . . . 72.43 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 0.4 OUTLIER 59.7 127.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.341 -0.849 . . . . 75.42 110.417 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 2.7 pt20 38.64 -158.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.671 -0.643 . . . . 65.04 110.538 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -101.09 47.37 0.91 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.247 -0.908 . . . . 64.02 110.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' CE2' ' NE2' ' A' ' 95' ' ' GLN . 0.9 OUTLIER -63.32 175.5 0.97 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 72.33 110.027 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' NE2' ' CE2' ' A' ' 94' ' ' TYR . 2.2 mp0 -72.1 130.96 85.78 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.229 -0.919 . . . . 74.23 110.093 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -60.66 145.01 99.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.886 1.466 . . . . 75.04 110.126 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.0 p-10 -112.12 141.93 45.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -0.937 . . . . 75.14 109.975 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -72.1 131.54 42.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 75.24 110.473 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.471 HG23 ' HG2' ' A' ' 88' ' ' LYS . 2.6 pt -114.34 -19.45 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.817 . . . . 74.25 109.549 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 31.3 m-20 -147.43 129.9 15.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 75.52 109.813 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.425 ' SD ' ' CB ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -147.54 117.47 7.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.931 . . . . 75.33 110.203 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 7.6 p90 -145.23 153.36 41.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.215 -0.928 . . . . 74.42 110.272 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 74.4 t -122.88 148.91 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 74.53 110.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 125.08 53.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.96 . . . . 74.43 110.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 81' ' ' ALA . 4.3 t -123.55 129.6 24.8 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.255 -0.903 . . . . 74.12 110.174 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 20.6 Cg_endo -65.89 127.72 18.36 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.885 1.466 . . . . 72.22 110.211 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.3 -19.35 39.98 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.312 -1.515 . . . . 64.02 109.312 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -115.2 169.98 8.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -1.12 . . . . 73.23 110.049 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -93.27 143.64 26.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 72.24 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.8 133.77 55.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.216 -0.927 . . . . 74.52 110.243 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.576 ' CD2' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -118.39 128.45 54.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 74.24 109.975 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 46.6 m-85 -82.08 139.78 34.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 74.21 110.657 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.479 HD23 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -98.02 -27.46 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.323 -0.861 . . . . 74.31 109.81 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 115' ' ' LYS . 9.9 mt -123.01 -75.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.375 -0.828 . . . . 65.21 110.097 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 74.21 110.181 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.472 -1.451 . . . . 64.22 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.512 ' OG ' ' NE2' ' A' ' 5' ' ' GLN . 46.3 t -153.91 29.21 0.46 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.207 -1.172 . . . . 75.43 110.362 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 86.8 m-20 -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 73.42 110.249 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -55.4 -47.38 75.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 74.54 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.512 ' NE2' ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -60.62 -30.56 69.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 74.45 110.076 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -62.29 -40.34 95.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 73.21 110.003 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.18 -33.34 61.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 74.15 109.801 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.47 -44.1 97.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 73.43 110.587 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -67.21 -34.96 78.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 74.44 110.138 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.516 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -70.41 -44.48 67.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.174 -0.954 . . . . 74.41 109.768 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -32.38 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.355 -0.84 . . . . 63.11 109.877 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 5.3 m -59.42 -46.26 89.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 65.32 110.162 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -71.34 -29.72 65.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.894 . . . . 65.41 109.987 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' N ' ' HG3' ' A' ' 13' ' ' MET . 31.1 t -74.03 -46.56 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.966 . . . . 75.24 110.417 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE1' ' HA ' ' A' ' 12' ' ' SER . 12.8 pt-20 -74.22 -17.54 60.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.219 -0.926 . . . . 74.22 110.447 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -102.66 -15.48 16.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.153 -0.967 . . . . 72.33 109.991 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 113' ' ' LEU . 1.3 t30 -44.3 118.54 1.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -0.804 . . . . 73.02 110.203 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -30.92 69.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.163 -0.961 . . . . 74.14 110.162 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.57 -48.35 60.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 73.1 109.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CG1' HD11 ' A' ' 113' ' ' LEU . 25.1 mm -68.99 -31.97 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.199 -0.938 . . . . 71.14 109.717 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -49.9 -33.17 16.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 74.41 109.741 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -37.2 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 74.13 109.685 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' A' ' 23' ' ' LEU . 35.7 mt -73.25 -43.6 60.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.329 -0.857 . . . . 71.44 110.173 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 HD13 ' CG ' ' A' ' 79' ' ' LYS . 12.6 tp -83.74 -10.18 58.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.487 -0.758 . . . . 74.41 110.405 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB2' ' HD2' ' A' ' 78' ' ' LYS . 33.4 mt-30 51.4 31.83 7.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.191 -0.943 . . . . 65.22 110.375 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 11.6 p -61.75 -170.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 72.21 109.955 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -138.47 169.33 17.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.16 -0.962 . . . . 72.13 110.515 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 174.96 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.323 -0.86 . . . . 73.44 110.008 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -149.51 159.48 28.08 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.741 -1.344 . . . . 72.21 109.741 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 tt -57.15 -23.01 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -1.108 . . . . 74.31 110.237 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t -85.63 -11.94 52.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 74.41 110.09 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.7 131.97 1.41 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.387 -1.485 . . . . 74.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 6.3 mtpt -122.97 149.8 43.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.097 -1.237 . . . . 74.22 110.293 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.56 143.28 31.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.894 . . . . 54.34 110.811 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -119.0 128.54 54.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.429 -0.794 . . . . 74.44 109.386 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 9.8 mt -106.8 147.01 30.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 74.11 110.953 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -120.01 138.08 53.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 71.51 110.155 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -132.81 163.74 28.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.419 -0.801 . . . . 75.51 110.355 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 2.7 p90 -149.92 154.22 37.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.35 -0.843 . . . . 72.22 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -60.05 -127.52 0.01 OUTLIER Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.953 -1.259 . . . . 73.35 109.953 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.85 -166.83 1.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -1.157 . . . . 73.4 110.044 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -171.03 81.26 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.229 -0.92 . . . . 75.41 110.684 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -174.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.243 -0.911 . . . . 75.2 110.023 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 45' ' ' ASN . 3.4 m -45.74 -67.48 0.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -0.955 . . . . 74.11 110.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 44' ' ' THR . 1.0 OUTLIER 60.01 141.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.298 -0.876 . . . . 71.53 110.498 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 20.5 t0 -93.89 23.44 4.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 73.51 109.982 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' CB ' ' CE3' ' A' ' 48' ' ' TRP . 0.7 OUTLIER 57.5 157.6 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.288 0.566 . . . . 75.24 110.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' ' CB ' ' A' ' 47' ' ' LYS . 7.7 m-90 53.46 55.62 8.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 74.25 110.12 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -106.98 -149.92 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.261 -0.9 . . . . 71.41 110.336 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -96.66 145.43 25.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 75.4 110.241 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.43 124.96 20.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.203 -0.936 . . . . 72.14 109.834 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.05 128.97 25.58 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.158 -0.964 . . . . 71.15 110.91 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -71.19 161.59 45.36 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 124.037 1.546 . . . . 75.23 109.795 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mm -76.37 135.97 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.955 -1.091 . . . . 74.23 109.36 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.96 153.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.493 -0.754 . . . . 75.34 110.708 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' HE3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -123.63 144.07 49.84 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 72.0 110.026 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.2 p -101.1 140.06 35.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 62.44 110.493 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -120.36 125.55 48.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.296 -0.878 . . . . 72.5 110.363 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 129.1 28.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 72.32 109.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -114.97 143.02 45.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 74.44 110.498 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -176.64 3.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.174 -0.954 . . . . 74.52 110.084 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -59.35 -14.8 13.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.942 . . . . 72.42 110.08 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 57.0 mm-40 -85.34 -13.19 50.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.299 -0.876 . . . . 71.34 110.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.25 23.44 51.46 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.84 -1.304 . . . . 63.22 109.84 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 2.7 tpp85 -94.0 121.74 35.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -1.175 . . . . 75.11 110.102 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.46 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 83.5 m -80.12 124.24 28.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 71.25 110.435 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.411 ' NE2' ' HB3' ' A' ' 65' ' ' ARG . 33.2 m170 -107.44 143.08 36.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 75.2 109.846 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -118.56 136.18 54.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.168 -0.958 . . . . 73.33 110.718 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.3 m-85 -122.03 121.09 36.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.389 -0.819 . . . . 74.43 109.946 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.498 ' HE3' ' CB ' ' A' ' 56' ' ' SER . 1.6 ttm -138.05 134.09 34.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -0.919 . . . . 71.52 110.338 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -144.78 144.65 31.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 72.34 110.146 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.406 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -149.13 152.1 35.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.24 -0.913 . . . . 73.3 110.095 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 14.3 m-70 -92.64 159.38 15.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 73.05 110.395 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.523 HG21 ' CG2' ' A' ' 83' ' ' VAL . 18.2 t -126.34 137.73 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.366 -0.834 . . . . 75.55 110.1 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 117.85 30.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 70.52 110.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.433 ' OG ' ' CD2' ' A' ' 36' ' ' LEU . 8.5 t -111.51 172.84 6.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -0.843 . . . . 74.33 110.223 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -15.44 58.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 75.33 110.223 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 25' ' ' GLN . 7.7 mttt -100.06 -27.59 13.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.872 . . . . 74.24 110.529 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -178.22 175.18 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.113 -0.992 . . . . 72.52 110.478 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.81 142.7 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 74.15 110.136 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.44 156.04 49.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 73.22 110.386 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 1.1 tt -113.24 136.9 52.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 71.5 110.014 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' CG2' HG21 ' A' ' 74' ' ' VAL . 36.2 t -116.02 132.45 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.21 -0.931 . . . . 75.25 110.649 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 43.5 t60 -130.05 131.15 45.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.4 -0.813 . . . . 74.1 109.558 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' CB ' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -140.14 149.71 43.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.981 -1.075 . . . . 74.12 111.0 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -121.52 137.65 54.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.452 -0.78 . . . . 71.14 109.35 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.48 141.41 49.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.049 -1.032 . . . . 71.42 110.956 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.44 143.87 47.8 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.361 -0.837 . . . . 73.31 109.613 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -86.48 133.81 33.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 74.05 110.234 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.52 123.4 50.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.35 -0.844 . . . . 72.51 110.019 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 53.4 169.91 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.237 -0.915 . . . . 73.33 110.152 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 16.2 tt0 -105.13 76.8 1.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.244 -0.91 . . . . 52.23 110.714 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -163.55 23.77 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.927 . . . . 72.04 110.134 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.91 175.87 3.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 74.24 110.337 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -91.06 155.34 44.89 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 72.55 110.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -49.97 154.36 5.32 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.909 1.478 . . . . 73.12 110.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.3 155.05 51.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 72.44 110.057 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -80.93 139.15 36.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.237 -0.914 . . . . 71.04 110.514 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 2.7 pt -118.12 -18.44 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.257 -0.902 . . . . 72.11 109.633 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -143.69 129.32 19.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.839 . . . . 74.22 109.739 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.522 ' HG2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -148.6 121.71 8.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 71.41 110.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 31.0 p90 -147.8 156.94 43.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 75.31 110.093 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 83' ' ' VAL . 29.0 t -125.97 147.98 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 75.42 110.336 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.44 115.28 29.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 72.01 110.26 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.526 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 6.4 p -109.17 132.82 21.0 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 70.13 110.012 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -69.32 131.32 21.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 71.42 111.301 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.29 -21.19 13.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.346 -1.102 . . . . 54.24 110.346 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.526 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.5 mt-10 -119.87 158.91 25.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.956 -1.32 . . . . 73.42 110.431 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 149.4 46.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.181 -0.949 . . . . 75.2 109.795 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -70.06 136.21 50.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.234 -0.916 . . . . 74.33 110.38 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.79 130.58 56.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.345 -0.847 . . . . 75.3 109.911 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.55 ' CD2' ' CB ' ' A' ' 115' ' ' LYS . 20.5 p90 -85.26 143.99 28.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 75.33 110.34 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -95.89 -38.58 10.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 71.25 110.169 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' LYS . 33.0 mt -106.85 -71.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 75.44 110.244 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' CB ' ' CD2' ' A' ' 112' ' ' TYR . 10.8 tttm . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 73.33 110.248 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.614 -1.394 . . . . 61.15 109.614 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 2.5 t 69.22 34.16 3.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -1.148 . . . . 71.54 110.335 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 12.6 m-20 -61.82 -43.11 99.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.195 -0.941 . . . . 74.1 110.032 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 m -58.87 -45.01 91.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 75.43 109.643 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.461 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.1 mt-30 -70.52 -31.05 67.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 73.45 109.825 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 8.3 mt -53.87 -42.83 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 74.53 109.508 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -34.8 58.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.427 -0.796 . . . . 74.44 109.251 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 37.0 m-20 -62.28 -47.28 85.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.429 -0.795 . . . . 71.31 110.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 11.6 ptm180 -61.51 -32.3 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 74.11 110.022 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.84 -45.07 53.4 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.358 -0.839 . . . . 73.23 109.522 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.544 HG23 ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.41 -30.65 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.783 . . . . 74.51 109.675 179.594 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 t -60.13 -50.34 74.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.456 -0.778 . . . . 71.14 110.477 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 5.8 ptt? -67.41 -31.3 71.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.956 . . . . 74.43 109.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.1 t -73.0 -50.83 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 74.51 110.821 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -67.09 -29.23 68.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.189 -0.944 . . . . 71.35 110.815 -179.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 16.3 ptpt -86.84 -14.41 42.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.083 . . . . 64.35 109.854 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.494 ' ND2' HD22 ' A' ' 113' ' ' LEU . 1.8 t30 -53.78 108.59 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 73.33 110.182 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -57.36 -34.22 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 71.53 110.008 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.515 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 35.3 m-20 -60.66 -49.23 78.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 72.13 109.734 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.04 -37.13 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 64.31 109.84 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -53.16 -34.11 55.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 73.02 109.481 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.512 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.1 p -58.43 -39.2 79.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 72.13 109.421 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.95 -42.67 72.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.631 -0.668 . . . . 73.31 109.314 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -79.35 -10.44 59.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 73.34 110.107 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' ARG . 12.7 mt-30 48.39 34.8 5.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 74.31 109.916 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.48 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 71.21 110.575 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -87.99 166.98 14.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -0.871 . . . . 74.41 110.561 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 3.4 t0 177.28 85.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.326 -0.859 . . . . 71.42 109.945 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . -166.29 158.77 31.84 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.383 -1.487 . . . . 53.33 109.383 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 tp -55.93 -22.88 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -1.151 . . . . 73.1 110.449 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -102.21 -3.38 27.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.169 -0.957 . . . . 74.14 110.406 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -167.8 113.03 0.52 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.323 -1.511 . . . . 73.33 109.323 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -118.38 145.41 45.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.378 -1.072 . . . . 72.55 110.416 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -77.85 134.08 38.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.291 -0.881 . . . . 64.32 110.333 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.43 116.84 28.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.853 . . . . 74.35 109.844 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' OE1' ' A' ' 34' ' ' GLU . 23.3 mt -109.44 145.69 35.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 70.44 110.529 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -115.19 131.05 57.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 73.43 109.988 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . . . -123.45 158.77 30.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 71.22 110.29 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 19.0 m-85 -134.7 158.36 44.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 63.41 110.311 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -81.82 -120.39 0.55 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.752 -1.339 . . . . 73.31 109.752 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 41.9 mt-10 -66.42 178.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 74.2 110.479 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 17.6 tp -177.18 127.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 72.22 110.088 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -77.57 -170.26 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.292 -0.88 . . . . 64.32 110.225 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 t -130.28 85.34 2.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.15 -0.969 . . . . 70.3 110.317 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -149.97 -143.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 73.34 110.4 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -110.51 -177.4 3.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.243 -0.91 . . . . 71.2 110.313 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.45 -170.62 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.845 . . . . 74.11 110.232 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 4.0 p-90 -159.22 -47.17 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.294 -0.879 . . . . 73.02 109.987 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' TRP . 4.5 p 43.03 -155.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.253 -0.904 . . . . 65.45 110.103 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 152.47 18.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 73.41 110.039 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -80.71 167.9 19.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 74.3 110.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.14 156.0 86.04 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.322 -0.861 . . . . 71.13 110.057 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -65.39 160.11 44.23 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 O-C-N 124.023 1.538 . . . . 71.31 110.314 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.547 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 15.7 mm -101.94 135.69 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.426 -0.796 . . . . 74.23 109.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.1 153.27 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 72.2 110.265 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 p -120.2 148.39 43.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -0.883 . . . . 75.53 110.343 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.6 p -101.24 136.42 41.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.351 -0.843 . . . . 73.01 110.045 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -126.77 125.26 41.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.087 -1.008 . . . . 75.3 110.746 -179.749 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -131.18 124.49 30.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 75.31 109.539 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -117.39 143.99 45.41 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.084 -1.01 . . . . 75.44 110.835 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -95.52 -163.91 1.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.467 -0.771 . . . . 74.21 109.911 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -15.33 62.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 75.43 110.469 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -85.27 -11.24 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 74.11 110.535 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.35 2.43 76.86 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.625 -1.39 . . . . 53.42 109.625 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.15 121.56 20.45 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 74.32 109.975 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.0 m -100.8 126.23 47.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.93 . . . . 75.22 110.565 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -105.77 143.56 33.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 73.23 109.773 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -119.16 137.23 53.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 75.02 110.812 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 12.0 m-85 -124.48 120.25 31.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 75.02 109.601 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 140.56 49.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.063 -1.023 . . . . 73.13 110.718 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -149.14 143.01 25.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.368 -0.833 . . . . 73.45 110.017 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 10.2 p90 -147.57 169.65 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.223 -0.923 . . . . 73.23 110.311 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 14.5 m170 -100.94 146.41 27.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 74.22 110.37 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 83' ' ' VAL . 5.0 t -124.74 130.4 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.853 . . . . 70.12 109.385 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.26 120.05 36.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 75.41 110.735 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 1.6 m -117.01 165.81 12.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.369 -0.832 . . . . 75.22 109.897 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -13.53 58.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.14 110.16 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -97.27 -30.14 13.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 71.5 110.556 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 10.9 ptpt 174.58 169.63 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.247 -0.908 . . . . 74.24 110.295 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.8 mp -99.24 134.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 71.4 109.438 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.98 157.6 27.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.164 -0.96 . . . . 75.45 110.716 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -115.97 120.68 39.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.471 -0.768 . . . . 70.31 109.276 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 18.2 t -110.81 130.89 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 64.44 111.368 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 4.6 t60 -130.69 129.65 42.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.547 -0.72 . . . . 74.45 109.233 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 98' ' ' PHE . 2.1 pp -131.79 153.29 50.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.022 -1.049 . . . . 74.45 110.971 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -135.45 129.84 33.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.515 -0.741 . . . . 63.13 109.656 179.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . . . -128.52 153.99 46.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.159 -0.963 . . . . 74.13 110.578 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -132.75 143.17 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -0.812 . . . . 75.42 109.873 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 20.4 pt-20 -98.41 139.5 34.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.219 -0.926 . . . . 75.1 110.357 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.6 m -105.41 150.77 24.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.288 -0.882 . . . . 71.12 109.946 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -39.97 130.94 2.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.409 -0.807 . . . . 75.41 110.145 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 49.09 91.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -0.95 . . . . 71.2 109.655 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.32 24.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.169 -0.957 . . . . 64.31 110.596 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 46.21 -110.66 0.27 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.228 -0.92 . . . . 74.35 110.483 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.8 155.25 64.96 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 72.31 110.614 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 37.9 Cg_endo -74.78 165.74 30.83 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.129 1.594 . . . . 74.42 110.426 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 0.9 OUTLIER -116.89 144.78 44.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 75.33 110.121 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 85' ' ' LEU . 55.8 m-85 -79.09 139.07 38.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 75.32 110.213 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -119.32 -18.99 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.309 -0.869 . . . . 73.11 110.495 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -140.94 128.23 21.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 65.21 110.25 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.45 ' SD ' ' HB3' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -150.46 123.01 8.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 73.41 110.347 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 15.0 p90 -147.47 156.77 43.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.079 -1.013 . . . . 72.43 110.525 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 p -119.27 140.67 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 74.05 110.224 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.47 124.09 48.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 71.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.29 126.66 28.01 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.315 -0.866 . . . . 74.45 110.029 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.7 126.91 16.15 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.849 1.447 . . . . 71.23 110.491 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 -20.51 21.1 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.644 -1.382 . . . . 63.45 109.644 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -118.98 170.32 9.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -1.141 . . . . 75.43 109.947 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.08 138.55 33.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.937 . . . . 75.42 110.286 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.5 ptm180 -66.46 143.49 57.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.866 . . . . 73.34 110.215 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -116.16 132.96 56.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.348 -0.845 . . . . 75.43 110.137 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 10.4 p90 -82.58 147.27 28.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 73.33 110.48 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.494 HD22 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.32 -44.78 5.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.414 -0.804 . . . . 71.14 110.159 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 82.9 mt -104.33 -45.91 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 73.1 110.372 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.526 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 14.0 tttp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 73.12 110.199 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.497 -1.441 . . . . 53.12 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -86.67 9.85 17.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.3 -1.117 . . . . 73.35 110.136 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.2 p30 -61.76 -34.07 75.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 64.13 110.008 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.402 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 81.3 m -57.69 -43.98 85.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 75.11 109.876 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.48 -31.03 68.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.924 . . . . 71.45 109.895 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.31 -38.67 77.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.475 -0.765 . . . . 64.32 110.072 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.507 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.01 -33.89 57.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 75.44 109.73 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -57.56 -51.82 67.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 74.43 110.255 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.2 ptm85 -66.91 -36.33 82.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -0.888 . . . . 74.34 110.46 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.58 -42.57 86.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.902 . . . . 74.12 110.4 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.31 -33.86 47.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.366 -0.833 . . . . 73.41 110.426 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 1.7 t -56.49 -50.16 72.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 75.13 110.339 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.3 ptt? -69.86 -30.82 68.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 73.41 110.006 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 55.9 t -74.87 -37.32 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 74.14 110.751 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 12' ' ' SER . 22.3 pt-20 -80.0 -19.39 47.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 71.21 110.674 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 7.3 pttp -103.46 -15.98 15.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.089 -1.007 . . . . 75.33 110.382 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -49.04 115.55 1.33 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.167 -0.958 . . . . 74.45 110.29 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.9 ptpt -61.3 -27.39 68.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 74.1 110.263 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.14 -43.02 79.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 73.13 109.969 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.454 HG13 HD23 ' A' ' 113' ' ' LEU . 41.4 mm -76.29 -37.87 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.892 . . . . 64.3 110.347 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.95 -35.33 58.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.063 -1.023 . . . . 73.44 109.808 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.498 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 22.3 m -61.98 -36.67 82.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 73.35 109.562 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 mt -73.27 -39.05 65.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.358 -0.839 . . . . 74.45 109.651 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -0.82 57.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 71.03 110.265 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.6 mt-30 53.11 32.63 13.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 73.11 110.072 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' GLN . 1.3 m -53.82 -169.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 70.41 110.228 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -137.88 173.71 11.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 70.53 110.491 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 170.94 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 74.42 110.11 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.84 152.91 23.48 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.575 -1.41 . . . . 54.44 109.575 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.31 -22.22 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 74.51 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 t -96.64 -0.79 47.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 75.02 110.119 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.57 114.03 0.46 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.594 -1.402 . . . . 54.35 109.594 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.16 128.41 56.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -1.069 . . . . 74.1 109.935 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 17.9 tp10 -91.56 142.92 27.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 74.14 110.605 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -128.05 119.22 24.96 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.979 -0.749 . . . . 74.51 108.979 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' GLU . 14.6 mt -98.97 146.22 26.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 74.42 111.169 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -120.1 129.36 54.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.715 -0.616 . . . . 75.42 109.759 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -130.65 143.3 50.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 71.24 110.382 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.7 p90 -147.5 161.22 41.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -0.828 . . . . 75.53 109.903 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -56.97 -160.17 0.02 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.549 -1.421 . . . . 73.2 109.549 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 19.9 pt-20 -132.38 -156.96 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -1.159 . . . . 63.2 110.228 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 1.3 mp 62.68 60.32 1.33 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 71.44 110.135 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG23 ' C ' ' A' ' 42' ' ' LEU . 1.1 pp -145.87 -172.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 74.41 110.339 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 t -154.62 -37.4 0.09 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.224 -0.923 . . . . 73.31 110.264 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.14 103.78 3.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 75.35 109.815 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 44.6 p30 -122.3 153.06 39.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 75.0 110.3 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 9.4 mmmt -123.76 -154.32 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.268 -0.895 . . . . 75.14 109.949 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 48' ' ' TRP . 1.9 p90 -90.94 10.4 26.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 74.12 110.041 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -136.26 168.38 19.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 70.3 110.225 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.7 OUTLIER 42.68 86.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 75.35 110.133 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -106.27 149.13 27.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -0.906 . . . . 72.14 110.488 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 12.6 tpt180 -86.48 119.87 71.71 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.356 -0.84 . . . . 73.24 109.86 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' HD2' ' HD2' ' A' ' 52' ' ' ARG . 19.1 Cg_endo -62.21 160.12 32.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.873 1.459 . . . . 75.14 110.205 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.1 139.05 18.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.381 -0.824 . . . . 74.32 110.406 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -96.3 140.84 16.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.504 -0.748 . . . . 75.15 110.334 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.59 149.39 40.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 75.42 110.391 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.4 p -109.56 143.3 39.44 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.321 -0.862 . . . . 72.21 109.992 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -115.89 136.18 53.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 75.33 110.393 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -146.07 123.59 11.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 72.34 109.9 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.1 pp -109.73 137.22 47.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 74.32 110.275 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.15 -171.18 2.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.177 -0.952 . . . . 72.3 110.272 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -16.23 55.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -0.893 . . . . 75.25 110.176 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.3 -10.37 57.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 72.14 110.247 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.09 7.05 81.03 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.591 -1.404 . . . . 74.24 109.591 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -86.39 121.68 29.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.17 -1.194 . . . . 74.44 110.048 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.484 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 51.1 m -88.54 134.66 33.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 74.41 110.442 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -108.56 149.25 29.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.871 . . . . 73.44 110.225 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.08 141.71 48.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 74.3 110.489 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 86' ' ' GLU . 57.2 m-85 -124.19 120.04 31.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 73.41 110.008 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.425 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 4.0 ttm -133.16 134.38 44.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 74.25 110.172 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -140.9 145.27 35.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 75.31 110.609 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.636 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 3.4 p90 -156.92 161.48 39.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 74.13 109.938 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 5.2 m-70 -100.7 159.41 15.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.096 -1.002 . . . . 71.43 110.45 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 83' ' ' VAL . 60.5 t -123.68 130.69 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.383 -0.823 . . . . 72.25 109.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -106.63 118.76 37.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 72.35 110.848 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 26.8 p -112.14 174.29 5.95 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.333 -0.854 . . . . 63.55 109.486 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -79.98 -18.34 50.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.134 -0.979 . . . . 75.32 109.538 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.07 -28.07 15.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 74.42 110.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.463 ' O ' ' OG ' ' A' ' 76' ' ' SER . 3.6 ttmt -179.05 -173.62 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 75.53 110.754 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.474 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 43.1 mt -115.12 145.07 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.82 . . . . 73.02 109.962 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -129.44 157.27 42.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 63.11 110.637 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 73' ' ' HIS . 3.0 tm? -112.96 128.63 56.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 63.05 109.236 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.636 ' CG1' ' CE2' ' A' ' 72' ' ' PHE . 74.0 t -115.87 126.56 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 70.14 111.33 -179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.5 t-80 -129.18 139.03 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.088 -0.708 . . . . 73.31 109.088 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 3.5 pp -148.25 153.67 39.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.919 -1.113 . . . . 75.43 111.178 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.579 ' HG3' ' CE2' ' A' ' 69' ' ' TYR . 5.2 tt0 -124.51 135.15 52.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.545 -0.722 . . . . 71.23 109.435 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -124.68 153.83 41.71 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.975 -1.078 . . . . 74.03 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD3' ' CG2' ' A' ' 99' ' ' ILE . 1.1 ptmm? -131.22 144.08 51.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.478 -0.764 . . . . 75.35 109.703 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -90.1 138.75 31.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 75.43 111.061 -179.305 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -130.15 151.11 51.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.462 -0.774 . . . . 71.13 109.479 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -38.97 134.29 1.03 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.286 -0.884 . . . . 75.34 110.169 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER 48.67 -143.98 0.44 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 71.1 109.875 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER 68.51 9.0 7.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.15 -0.969 . . . . 73.21 110.725 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 93' ' ' ASN . 6.1 t80 67.17 -131.82 0.14 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.073 -1.017 . . . . 73.51 110.125 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -71.77 156.28 91.31 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.088 -1.007 . . . . 74.34 110.416 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 50.4 Cg_exo -48.86 161.22 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 124.099 1.578 . . . . 71.33 110.432 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.16 157.54 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.276 -0.89 . . . . 73.12 110.016 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 98' ' ' PHE . 75.4 m-85 -88.54 136.87 32.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 74.44 110.389 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.492 ' CG2' ' HD3' ' A' ' 88' ' ' LYS . 4.0 pt -117.77 -12.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 74.13 109.974 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 34.0 m120 -147.62 128.28 14.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 70.24 110.14 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' LEU . 1.8 tpt -149.88 115.21 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.339 -0.851 . . . . 64.34 109.803 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.9 p90 -147.53 151.25 36.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 75.44 110.316 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 21.9 t -119.4 148.35 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 72.32 110.223 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.33 123.0 40.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 73.34 110.358 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 108' ' ' GLU . 36.3 t -104.84 129.96 23.98 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 73.42 109.963 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.474 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.0 Cg_exo -63.11 126.79 18.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.779 1.41 . . . . 71.33 110.27 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.66 45.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.831 -1.308 . . . . 73.44 109.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -118.39 164.82 14.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 75.44 110.192 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -76.66 142.15 40.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.92 . . . . 75.21 110.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -77.21 140.62 40.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 62.44 110.738 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -121.08 127.36 51.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.804 . . . . 73.45 109.693 179.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 29.2 p90 -77.21 141.8 39.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.166 -0.959 . . . . 74.31 110.604 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -95.13 -35.82 11.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.368 -0.832 . . . . 74.15 110.184 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 101' ' ' MET . 52.2 mt -127.04 -42.98 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 75.2 110.13 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 9.4 ttmt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 74.42 110.235 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.528 -1.429 . . . . 74.24 109.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -66.12 -9.1 28.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.328 -1.101 . . . . 63.54 110.063 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -45.89 90.41 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 75.51 110.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -54.44 -44.34 72.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.173 -0.954 . . . . 73.21 109.98 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.44 -30.81 67.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 74.51 110.035 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 4.0 mp -61.79 -41.93 98.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.925 . . . . 74.21 110.09 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.542 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.79 -33.59 58.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 74.04 109.663 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -54.37 -52.05 62.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.353 -0.842 . . . . 75.05 110.052 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 2.8 ptm180 -66.85 -31.43 72.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.945 . . . . 75.41 109.79 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 13' ' ' MET . . . -64.84 -44.09 90.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 74.11 109.475 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -71.95 -35.05 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.364 -0.835 . . . . 73.33 109.291 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -52.68 -49.33 65.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.338 -0.851 . . . . 74.23 109.699 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.528 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptp -70.78 -30.95 67.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.238 -0.914 . . . . 75.14 109.353 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.523 ' N ' ' HG3' ' A' ' 13' ' ' MET . 51.5 t -71.48 -41.14 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.481 -0.762 . . . . 75.54 110.458 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -76.78 -25.19 53.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.9 . . . . 74.15 110.229 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -97.37 -18.57 19.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 73.34 110.199 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 6.5 t-20 -48.45 123.44 6.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.183 -0.948 . . . . 73.34 109.897 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -62.08 -37.91 86.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 65.02 110.591 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 3.5 m-20 -61.14 -45.35 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 73.53 110.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 20' ' ' ILE . 50.2 mm -68.92 -35.58 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 75.44 109.884 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -50.32 -39.23 45.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 75.32 109.535 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 m -67.4 -36.18 80.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.432 -0.793 . . . . 73.35 109.611 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 38.5 mt -73.85 -40.41 63.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 74.55 109.801 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -86.38 -8.3 57.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 75.22 110.252 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 23.4 mt-30 48.37 27.48 1.38 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 71.11 109.647 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' HB2' ' CD ' ' A' ' 34' ' ' GLU . 20.2 p -77.43 -159.59 0.15 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.774 . . . . 65.52 110.422 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.0 159.61 21.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 64.03 110.133 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -179.28 93.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.226 -0.921 . . . . 71.34 110.19 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.74 153.72 25.18 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.489 -1.445 . . . . 25.11 109.489 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -16.65 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.387 -1.066 . . . . 64.12 110.243 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -94.86 -23.2 17.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 74.25 110.055 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.91 124.7 1.26 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.686 -1.365 . . . . 64.14 109.686 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.75 147.97 40.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -1.103 . . . . 64.14 110.191 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -84.37 143.25 29.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 60.23 110.796 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -109.54 118.2 35.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.412 -0.805 . . . . 75.34 109.978 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD22 ' OG ' ' A' ' 76' ' ' SER . 72.7 mt -109.69 146.39 34.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 72.45 110.498 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 137.16 51.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.369 -0.832 . . . . 75.31 109.971 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . . . -129.58 163.2 26.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 75.45 110.4 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 11.0 p90 -160.21 148.09 16.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.223 -0.923 . . . . 73.3 110.34 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . -81.02 -132.26 1.22 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.801 -1.32 . . . . 73.25 109.801 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -48.05 167.4 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.31 -1.112 . . . . 71.43 110.415 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.13 -172.14 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.3 -0.875 . . . . 74.32 110.262 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pt -130.69 -172.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.313 -0.867 . . . . 73.44 110.087 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' ASN . 6.6 m -98.16 -58.68 1.92 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 75.14 110.243 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' THR . 11.1 t-20 62.07 128.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.256 -0.903 . . . . 74.14 110.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.0 m-20 -52.35 142.88 16.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 75.1 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 60.84 -175.62 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 75.2 110.354 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 m95 55.43 21.2 4.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 65.42 110.178 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.31 159.06 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.799 . . . . 75.13 110.498 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -172.5 164.16 5.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 74.3 109.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.31 76.13 1.64 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 70.33 110.106 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.57 161.46 78.43 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.944 . . . . 75.24 110.372 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -77.14 159.35 33.61 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 124.043 1.549 . . . . 74.52 110.931 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.456 HD12 ' HA3' ' A' ' 40' ' ' GLY . 14.4 mm -112.24 137.88 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.355 -0.841 . . . . 73.01 109.695 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.9 143.94 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.208 -0.933 . . . . 73.32 110.594 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.447 ' HB3' ' CE ' ' A' ' 70' ' ' MET . 0.5 OUTLIER -129.46 150.6 50.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.359 -0.838 . . . . 74.23 110.217 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 71.8 p -101.43 147.65 26.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 73.41 110.217 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.25 134.39 55.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 72.2 110.375 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -144.98 126.53 15.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 72.4 110.047 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.4 pp -107.09 141.88 37.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 73.22 110.456 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.98 -164.43 1.17 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.29 -0.881 . . . . 71.12 110.234 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -69.81 -12.85 61.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 74.31 110.321 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 16.9 mt-10 -89.3 -8.39 53.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 61.42 110.246 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.13 80.76 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.398 . . . . 45.44 109.604 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 23.8 ttp180 -82.49 121.76 27.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.229 -1.16 . . . . 75.11 110.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 7.5 m -84.1 130.36 34.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 73.14 110.317 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.55 143.41 39.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.198 -0.939 . . . . 65.44 110.13 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -117.47 145.9 43.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 74.23 110.318 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 12.3 m-85 -121.37 131.39 54.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 75.14 109.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 56' ' ' SER . 3.2 ttm -134.46 128.25 33.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.125 -0.985 . . . . 75.23 110.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 15.2 ptm180 -133.45 142.19 48.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 75.34 110.246 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -154.76 151.46 28.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 75.41 109.992 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 73' ' ' HIS . 2.1 m-70 -89.06 150.51 22.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.93 . . . . 74.51 110.375 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 40.3 t -124.12 130.68 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 74.4 109.89 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.1 120.21 40.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 75.33 110.416 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.467 ' OG ' HD22 ' A' ' 36' ' ' LEU . 44.5 m -113.19 165.54 12.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.336 -0.852 . . . . 75.24 109.953 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -70.0 -17.85 63.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.51 110.138 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 2.3 mttm -96.88 -25.56 15.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 75.02 110.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 1.8 ttmt 177.61 -167.65 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.975 . . . . 72.51 110.499 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.72 144.34 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.402 -0.811 . . . . 73.31 109.301 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.61 155.98 46.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.041 -1.037 . . . . 72.33 111.097 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 2.5 tm? -113.24 125.61 54.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.517 -0.739 . . . . 74.52 109.134 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG21 ' CG2' ' A' ' 103' ' ' VAL . 27.9 t -112.93 133.36 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.92 . . . . 74.24 111.421 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.0 t60 -128.7 130.43 47.14 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.039 -0.726 . . . . 64.33 109.039 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' HE1' ' A' ' 101' ' ' MET . 4.0 pp -137.25 148.58 46.55 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 74.25 111.106 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -119.79 134.87 55.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 64.41 109.449 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -129.33 151.34 50.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 64.24 110.895 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.521 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 0.1 OUTLIER -128.81 144.51 51.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 75.03 109.603 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -85.67 139.75 31.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.109 -0.995 . . . . 71.22 110.702 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -90.81 151.09 21.31 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.406 -0.809 . . . . 75.42 110.119 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -43.96 169.11 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 75.1 110.296 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 2.2 tp60 65.25 -164.65 0.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 65.52 110.652 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 93' ' ' ASN . 32.8 t30 -96.68 25.7 5.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.846 . . . . 72.14 110.356 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -65.79 163.9 15.79 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.229 -0.919 . . . . 72.21 110.1 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -78.15 152.71 79.45 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 73.33 110.124 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.0 Cg_endo -60.56 163.88 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.995 1.524 . . . . 74.24 110.427 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 19.0 m-20 -132.71 157.74 44.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.872 . . . . 62.44 110.322 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.43 ' C ' HD12 ' A' ' 99' ' ' ILE . 62.5 m-85 -103.62 134.47 46.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 74.13 109.785 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.521 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -116.3 -24.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 75.13 109.92 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -134.36 128.94 34.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.201 -0.937 . . . . 71.05 110.212 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.46 ' HE1' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.56 118.07 6.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 65.41 110.174 179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 12.9 p90 -147.36 157.82 43.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.959 . . . . 74.31 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 83' ' ' VAL . 54.8 t -129.07 151.21 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.199 -0.938 . . . . 75.55 110.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 110' ' ' ARG . 3.5 m-20 -101.47 115.16 29.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 73.42 110.26 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.47 HG13 ' OE2' ' A' ' 108' ' ' GLU . 2.9 t -94.04 117.43 67.16 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 74.53 109.727 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.423 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 22.6 Cg_exo -59.33 126.37 20.63 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.761 1.4 . . . . 72.31 110.811 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.14 -20.13 14.59 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.337 -1.105 . . . . 61.15 110.337 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' A' ' 105' ' ' VAL . 15.2 mt-10 -118.4 166.04 13.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.293 . . . . 75.32 110.581 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -69.89 151.05 46.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.373 -0.829 . . . . 72.21 110.581 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -74.2 141.28 45.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 74.43 110.128 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 33.6 t80 -117.07 133.2 56.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 73.14 110.192 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -89.76 143.95 26.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 75.41 110.429 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.54 -39.29 7.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 75.14 109.975 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.1 mt -119.18 -39.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 74.45 109.965 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.9 tttm . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 73.22 110.266 -179.895 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.524 -1.43 . . . . 71.32 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.26 -7.33 20.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -1.134 . . . . 75.33 110.236 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.76 81.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.959 . . . . 73.44 110.064 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -66.85 -34.72 78.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 74.51 109.992 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -69.75 -31.34 69.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.852 . . . . 74.41 110.102 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -62.04 -41.57 98.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.285 -0.884 . . . . 74.42 110.127 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.17 -37.0 61.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 74.13 109.658 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -56.16 -51.79 66.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 74.34 110.46 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 16.8 ptm180 -60.46 -37.66 81.72 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 71.23 110.243 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.56 -43.81 72.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.16 -0.962 . . . . 75.25 109.993 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' CG2' ' HB1' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -69.01 -31.61 51.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.359 -0.838 . . . . 73.0 110.08 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 35.1 m -59.8 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.855 . . . . 73.52 110.416 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 11.4 ptt? -72.03 -30.59 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.162 -0.961 . . . . 71.15 109.988 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.4 t -75.34 -41.44 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.28 -0.887 . . . . 73.02 110.797 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -75.09 -22.0 58.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.232 -0.918 . . . . 74.43 110.701 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -98.7 -15.88 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 63.4 110.453 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 31.8 t-20 -49.59 123.11 7.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 72.42 110.251 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -60.97 -32.86 72.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 74.23 110.202 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 3.3 m-20 -67.75 -42.48 81.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 72.33 110.584 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.503 HG23 HD13 ' A' ' 20' ' ' ILE . 48.7 mm -69.82 -34.4 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.229 -0.919 . . . . 70.11 110.33 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 ttm180 -55.79 -37.41 68.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.878 . . . . 63.55 110.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -63.73 -40.32 96.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 64.53 109.904 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD21 ' OE2' ' A' ' 108' ' ' GLU . 12.2 mt -73.07 -44.7 60.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 75.13 109.832 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -86.38 0.88 53.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.44 -0.788 . . . . 73.42 110.146 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.51 ' HB2' ' CD ' ' A' ' 78' ' ' LYS . 43.5 mt-30 56.46 31.34 18.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 73.54 109.745 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.1 t -70.44 168.14 16.76 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.335 -0.853 . . . . 72.11 110.295 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -136.08 159.89 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.496 -0.752 . . . . 75.12 110.027 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -174.35 79.22 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.133 -0.979 . . . . 75.2 110.34 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.08 166.27 33.5 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 64.35 109.52 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.11 -17.15 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -1.195 . . . . 74.42 110.271 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -89.08 -23.16 22.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.146 -0.971 . . . . 71.0 109.782 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.15 128.82 1.74 Allowed Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.553 -1.419 . . . . 62.14 109.553 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.06 122.74 43.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -1.141 . . . . 75.32 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -102.36 143.59 31.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 74.4 110.307 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -126.93 114.77 18.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.462 -0.774 . . . . 74.43 109.341 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 76' ' ' SER . 20.1 mt -102.32 145.11 29.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 72.11 110.199 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 129.69 45.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.295 -0.878 . . . . 74.33 110.555 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB2' ' CG2' ' A' ' 74' ' ' VAL . . . -119.14 163.33 17.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.389 -0.819 . . . . 52.2 109.275 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -161.38 141.28 10.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.885 -1.134 . . . . 72.22 111.175 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' A' ' 54' ' ' ILE . . . -97.8 4.83 61.54 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.061 -1.616 . . . . 64.43 109.061 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' LEU . 23.8 mt-10 -81.92 13.01 3.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.464 -1.021 . . . . 65.43 110.757 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -25.06 126.12 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.315 0.579 . . . . 74.35 111.395 -179.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -167.21 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 73.05 110.741 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -174.41 43.52 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.539 -0.726 . . . . 74.52 109.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.456 ' O ' ' O ' ' A' ' 46' ' ' ASP . 49.1 m-80 -141.5 -137.0 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 65.31 110.82 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 45' ' ' ASN . 6.0 m-20 -56.03 -155.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.339 -0.851 . . . . 72.21 111.314 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' ASP . 3.8 mtpt -39.07 158.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.59 -0.694 . . . . 74.34 110.965 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' O ' ' O ' ' A' ' 49' ' ' THR . 66.9 p-90 -88.09 5.58 40.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.49 -0.756 . . . . 72.5 109.994 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 48' ' ' TRP . 2.5 p -46.56 175.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.395 -0.816 . . . . 73.24 110.431 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -51.86 108.68 0.29 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.249 -0.907 . . . . 73.13 109.763 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -58.93 1.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 74.04 110.799 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -102.83 119.34 55.96 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.093 -1.004 . . . . 74.12 110.686 -179.432 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.41 159.69 48.66 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 O-C-N 123.906 1.477 . . . . 74.33 109.979 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 ' CG ' ' A' ' 41' ' ' GLU . 48.3 mm -88.08 132.58 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 74.11 110.289 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.02 150.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.415 -0.803 . . . . 74.43 110.594 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -115.99 147.59 41.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.396 -0.815 . . . . 71.21 110.004 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.6 147.22 25.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.359 -0.838 . . . . 74.51 110.241 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 3.4 ptmt -136.63 128.71 29.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.898 . . . . 74.33 110.577 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -142.28 134.61 27.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 73.55 109.65 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -121.81 147.28 46.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.985 . . . . 73.32 110.993 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.1 -169.58 2.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.376 -0.828 . . . . 73.12 109.572 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 62' ' ' LYS . 8.3 mmtm -70.48 -7.65 45.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.072 -1.017 . . . . 73.34 109.889 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -87.03 -13.62 43.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.388 -0.82 . . . . 75.55 110.3 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.83 5.18 68.76 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.621 -1.392 . . . . 64.13 109.621 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.35 121.89 27.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.159 -1.201 . . . . 74.43 110.212 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 22.1 m -91.8 137.07 32.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 70.24 110.543 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -113.18 147.42 37.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 61.35 109.705 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 10.3 t-80 -123.33 136.92 54.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.104 -0.998 . . . . 73.52 110.827 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 73.5 m-85 -125.67 121.74 34.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.444 -0.785 . . . . 74.44 109.939 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.473 ' HE3' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -139.75 144.85 37.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 70.44 110.467 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -146.12 149.04 33.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -0.911 . . . . 74.42 110.142 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 11.5 p90 -159.31 152.08 21.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.286 -0.884 . . . . 74.44 110.205 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 1.7 m-70 -88.59 155.78 19.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 75.14 110.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 2.7 t -125.85 131.19 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 75.14 109.984 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -109.33 117.93 35.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.94 . . . . 73.21 110.338 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.477 ' HB2' HD22 ' A' ' 36' ' ' LEU . 82.4 p -110.04 170.79 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.196 -0.94 . . . . 75.15 110.351 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -70.63 -13.37 62.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.318 -0.864 . . . . 75.53 110.137 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' CD ' ' HB2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -103.35 -23.65 13.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 74.12 110.586 -179.598 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' A' ' 106' ' ' PRO . 4.3 ttmt 175.44 -169.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 73.41 110.414 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.2 141.62 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 70.34 109.83 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.69 43.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 75.41 110.581 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 20.6 tp -113.37 129.84 56.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 75.25 109.431 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG23 ' CG2' ' A' ' 74' ' ' VAL . 58.5 t -110.45 133.35 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 65.52 111.067 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . 6.2 m80 -129.2 120.38 25.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 75.44 109.344 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 98' ' ' PHE . 2.2 pp -130.67 152.03 50.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.035 -1.04 . . . . 74.15 110.996 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -127.92 123.35 34.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.455 -0.778 . . . . 72.32 109.468 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.67 150.8 42.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.027 -1.045 . . . . 74.31 111.266 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HE3' ' NH2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -134.74 145.28 48.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.691 -0.631 . . . . 72.43 109.357 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 15.1 pt-20 -84.46 139.57 32.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.07 -1.019 . . . . 74.33 110.236 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.83 148.44 28.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 74.02 110.398 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.99 -155.36 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 75.42 110.456 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -116.32 163.73 15.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.353 -0.842 . . . . 74.43 109.829 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 46.91 40.93 9.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.119 -0.988 . . . . 75.52 109.747 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.84 153.21 48.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.38 -0.825 . . . . 75.24 109.783 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -73.6 158.25 86.58 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.184 -0.948 . . . . 73.34 109.881 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 19.0 Cg_endo -65.34 145.21 82.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.961 1.506 . . . . 74.23 110.044 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 137.84 51.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 73.23 110.322 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 85' ' ' LEU . 77.0 m-85 -83.16 138.66 33.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 75.42 109.814 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.92 -17.28 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.086 -1.009 . . . . 71.45 110.519 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -153.53 129.26 10.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.942 . . . . 75.33 110.117 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.486 ' HE1' ' CD2' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.22 123.79 9.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 75.32 110.197 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 84' ' ' HIS . 34.8 p90 -147.41 154.5 40.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -0.922 . . . . 74.3 110.466 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 93.3 t -123.52 147.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 64.42 110.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -107.16 115.15 29.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.173 -0.955 . . . . 64.45 110.167 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 108' ' ' GLU . 21.9 t -101.63 129.24 27.13 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.878 . . . . 72.23 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 19.6 Cg_endo -64.39 126.15 16.41 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.892 1.469 . . . . 75.03 110.208 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.43 -18.11 20.58 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.087 -1.205 . . . . 61.54 110.087 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' OE2' HD21 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -118.77 170.07 9.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.244 . . . . 71.33 110.565 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -83.42 143.27 30.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 73.14 110.208 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.6 ptt180 -66.73 135.9 54.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 63.23 110.459 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.15 132.22 53.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.889 . . . . 72.12 109.996 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 18.9 p90 -87.2 131.18 34.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -0.896 . . . . 63.14 110.429 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' CB ' ' HG2' ' A' ' 101' ' ' MET . 0.1 OUTLIER -82.87 -41.24 19.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 70.54 109.682 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 65.4 mt -111.79 -82.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.805 . . . . 72.22 109.977 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 1.3 ttpt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 74.42 110.22 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.512 -1.435 . . . . 53.12 109.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -96.44 19.59 11.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.199 -1.177 . . . . 73.35 110.048 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.43 -45.96 88.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.193 -0.942 . . . . 64.13 110.151 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.6 m -58.11 -49.68 76.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 75.11 109.962 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.01 -30.52 35.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 71.45 109.908 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -41.93 99.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 64.32 110.023 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.57 -33.48 58.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.284 -0.885 . . . . 75.44 109.763 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -54.86 -45.93 74.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 74.43 110.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 12.5 ptm180 -74.12 -33.61 63.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 74.34 110.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.55 -43.52 72.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 74.12 109.832 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.517 ' CG2' ' HB1' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.23 -33.86 66.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.188 -0.945 . . . . 73.41 109.956 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 6.5 t -65.79 -43.65 88.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 75.13 110.403 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.8 ptp -70.31 -31.72 69.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 73.41 110.189 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' N ' ' HG3' ' A' ' 13' ' ' MET . 27.3 t -75.22 -47.12 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.192 -0.942 . . . . 74.14 110.613 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 12' ' ' SER . 1.6 pp20? -62.47 -27.22 68.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.22 -0.925 . . . . 71.21 110.332 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -94.26 -17.02 23.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.093 -1.004 . . . . 75.33 110.041 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -48.84 115.72 1.37 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.857 . . . . 74.45 110.243 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -58.8 -29.38 66.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.896 . . . . 74.1 109.945 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -67.88 -48.48 65.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 73.13 109.911 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 HG13 ' CD1' ' A' ' 113' ' ' LEU . 22.7 mm -70.31 -37.76 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 64.3 109.829 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' GLN . 16.5 ttm180 -51.12 -35.43 35.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 73.44 109.814 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -61.65 -40.98 96.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 73.35 109.965 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.54 -35.61 65.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.311 -0.868 . . . . 74.45 109.812 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -95.51 0.99 53.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.559 -0.713 . . . . 71.03 110.925 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . 45.7 mt-30 51.46 36.02 15.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 73.11 109.534 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 27' ' ' ASP . 10.0 t -76.57 164.66 25.72 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.388 -0.82 . . . . 70.41 110.439 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m-20 -130.28 165.81 21.67 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 70.53 109.775 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 53.1 t0 -176.71 80.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.12 -0.988 . . . . 74.42 110.243 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.26 168.47 31.42 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.518 -1.433 . . . . 54.44 109.518 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 31' ' ' THR . 19.4 tt -61.08 -19.65 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -1.091 . . . . 74.51 110.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.45 ' N ' HG21 ' A' ' 30' ' ' ILE . 13.4 t -91.95 -17.48 25.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 75.02 110.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.62 128.17 1.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.502 -1.439 . . . . 54.35 109.502 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -124.0 127.2 47.56 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -1.164 . . . . 74.1 110.204 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -103.1 139.44 38.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.235 -0.916 . . . . 74.14 110.121 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -117.24 123.69 47.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.246 -0.909 . . . . 74.51 110.153 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 15' ' ' GLU . 13.3 mt -108.41 146.46 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.871 . . . . 74.42 110.34 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -116.29 132.61 56.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 75.42 110.264 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HB1' ' CG2' ' A' ' 11' ' ' VAL . . . -142.17 152.36 43.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 71.24 110.158 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.74 168.93 25.93 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 75.53 110.303 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.64 -150.27 0.03 OUTLIER Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.819 -1.312 . . . . 73.2 109.819 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 19.4 pt-20 -81.79 130.84 35.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -1.08 . . . . 63.2 110.322 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tt -174.13 128.69 0.37 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 71.44 110.177 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 44' ' ' THR . 3.2 pt -131.37 -168.01 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.204 -0.935 . . . . 74.41 110.378 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 4.4 m 65.94 36.63 5.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.413 -0.804 . . . . 73.31 110.358 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' THR . 45.0 m-20 58.03 128.92 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.461 -0.774 . . . . 75.35 110.736 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 58.0 p-10 -85.6 168.36 14.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 75.0 110.21 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -117.03 -170.66 1.88 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.219 -0.926 . . . . 75.14 109.932 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -118.19 -12.5 9.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 74.12 110.162 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -93.87 164.83 12.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 70.3 110.09 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' THR . 5.2 mtm180 55.12 -164.43 0.12 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.277 -0.889 . . . . 75.35 110.173 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.21 163.61 39.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.217 -0.927 . . . . 72.14 110.368 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -123.85 124.42 26.07 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 73.24 110.097 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.07 159.63 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 O-C-N 123.897 1.472 . . . . 75.14 111.158 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.8 mm -104.16 140.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.515 -0.741 . . . . 74.32 109.402 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.0 p -95.26 145.45 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.901 -1.124 . . . . 75.15 110.844 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.61 150.3 51.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.75 -0.594 . . . . 75.42 110.04 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 16.6 p -110.67 147.78 33.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.855 . . . . 72.21 110.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 2.0 ptmt -129.35 131.78 46.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.906 . . . . 75.33 110.297 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.74 126.0 14.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.374 -0.829 . . . . 72.34 110.132 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -94.05 136.47 34.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.314 -0.866 . . . . 74.32 110.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.56 -165.5 1.32 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.192 -0.942 . . . . 72.3 110.291 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -14.02 62.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.427 -0.796 . . . . 75.25 110.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.76 -11.09 40.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.343 -0.848 . . . . 72.14 110.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.34 19.28 46.25 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.7 -1.36 . . . . 74.24 109.7 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 2.2 ttp180 -96.62 123.13 40.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -1.22 . . . . 74.44 110.207 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 99.2 m -76.55 134.86 39.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 74.41 110.245 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.6 m170 -109.38 147.95 31.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.295 -0.878 . . . . 73.44 110.095 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 57' ' ' THR . 11.8 m-70 -123.67 136.99 54.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 74.3 110.447 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 29.9 m-85 -123.35 124.61 43.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.899 . . . . 73.41 110.02 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 tpp -143.65 145.42 32.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.892 . . . . 74.25 110.342 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -150.34 152.11 33.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 75.31 110.252 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 2.5 p90 -153.94 152.94 31.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.264 -0.898 . . . . 74.13 110.104 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 82' ' ' LEU . 10.9 m-70 -93.04 158.67 15.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 71.43 110.505 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 38' ' ' ALA . 30.6 t -128.45 130.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 72.25 109.752 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -104.47 123.62 47.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 72.35 110.684 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.449 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 18.8 t -117.01 168.94 9.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.431 -0.793 . . . . 63.55 109.914 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.88 -13.58 60.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 75.32 110.429 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.87 -28.21 12.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 74.42 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 2.6 ptpt -178.22 -175.23 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.145 -0.972 . . . . 75.53 110.312 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 8.6 mt -114.75 143.83 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 73.02 110.046 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.93 156.09 46.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 63.11 110.662 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 73' ' ' HIS . 1.4 tt -119.11 125.35 49.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.444 -0.785 . . . . 63.05 109.713 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 93.8 t -111.7 133.68 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.351 -0.843 . . . . 70.14 111.159 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 71' ' ' ARG . 2.8 t-80 -130.64 128.49 41.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.534 -0.728 . . . . 73.31 109.626 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.8 pp -129.91 153.09 48.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 75.43 110.934 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.42 130.21 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -0.788 . . . . 71.23 109.753 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -127.36 142.1 51.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 74.03 110.581 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -129.79 144.61 51.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 75.35 110.535 -179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -91.21 129.83 37.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.87 . . . . 75.43 109.783 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -114.17 128.28 56.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.145 -0.972 . . . . 71.13 110.721 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 1.1 tmmt? 39.05 -89.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.673 -0.642 . . . . 75.34 111.048 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' SER . 2.7 tt0 -103.59 -145.59 0.37 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.652 -1.28 . . . . 71.1 110.303 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 95' ' ' GLN . 20.4 m120 57.74 73.15 0.48 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.201 -0.937 . . . . 73.21 109.694 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 94' ' ' TYR . 1.3 t80 -41.02 -28.7 0.09 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.102 0.953 . . . . 73.51 110.566 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -85.99 114.34 56.58 Favored Pre-proline 0 C--N 1.281 -2.373 0 O-C-N 121.791 -0.568 . . . . 74.34 109.982 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 24.7 Cg_exo -58.02 163.09 10.18 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 O-C-N 124.031 1.542 . . . . 71.33 110.07 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.22 133.93 54.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 73.12 110.491 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.65 130.32 45.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.355 -0.84 . . . . 74.44 110.223 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 pt -118.6 -14.02 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 74.13 110.075 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -154.78 129.7 9.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.31 -0.869 . . . . 70.24 109.853 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -148.53 121.13 8.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 64.34 110.623 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 53.5 p90 -147.43 152.47 38.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.23 -0.919 . . . . 75.44 110.376 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 82' ' ' LEU . 13.8 p -119.22 148.04 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 72.32 110.029 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -112.1 124.94 53.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 73.34 110.372 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.419 HG11 ' HD2' ' A' ' 79' ' ' LYS . 85.6 t -109.11 126.93 28.22 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 73.42 109.892 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' CD ' ' O ' ' A' ' 80' ' ' ILE . 38.9 Cg_exo -55.78 126.46 22.52 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.883 1.465 . . . . 71.33 110.552 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.08 -19.98 18.86 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.189 -1.164 . . . . 73.44 110.189 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 170.0 9.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.954 -1.321 . . . . 75.44 110.713 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -81.34 149.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.88 . . . . 75.21 110.103 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 16.4 ptp180 -71.24 143.91 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 62.44 110.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 15.7 t80 -111.47 132.97 54.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.249 -0.907 . . . . 73.45 110.259 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.497 ' O ' ' CE1' ' A' ' 111' ' ' TYR . 16.5 p90 -84.3 129.81 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -0.913 . . . . 74.31 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.438 HD21 HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -88.17 -33.95 18.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -0.906 . . . . 74.15 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.7 mt -111.69 -52.77 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 75.2 110.135 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 74.42 110.273 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.481 -1.448 . . . . 74.32 109.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.52 20.38 14.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -1.168 . . . . 73.32 110.191 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.445 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 2.1 p30 -57.53 -39.28 76.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 74.05 110.073 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 20.9 m -68.74 -34.07 74.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.882 . . . . 72.24 109.845 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.44 -37.59 83.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 73.43 110.04 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -42.28 76.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 74.24 110.165 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.38 -33.23 58.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.291 -0.881 . . . . 75.24 109.922 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.28 -49.75 75.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 72.31 110.678 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -68.21 -33.42 74.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.136 -0.978 . . . . 74.21 110.588 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.12 -42.27 76.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.165 -0.959 . . . . 70.02 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -72.62 -31.2 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 73.31 109.977 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.512 ' N ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -53.89 -48.63 69.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.257 -0.902 . . . . 75.13 110.062 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.1 ptm -71.71 -30.6 65.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 74.53 109.794 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' N ' ' HG3' ' A' ' 13' ' ' MET . 20.1 t -72.49 -39.54 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.432 -0.793 . . . . 71.23 110.87 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -80.45 -20.76 43.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.168 -0.957 . . . . 74.33 110.772 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -96.62 -15.72 21.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.086 -1.009 . . . . 75.21 110.525 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.9 t30 -47.02 124.23 6.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.198 -0.939 . . . . 71.34 110.248 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.5 mmtm -66.04 -35.34 80.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.16 -0.962 . . . . 72.32 110.145 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -66.73 -45.26 79.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.244 -0.91 . . . . 74.44 110.0 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 50.4 mm -67.16 -32.54 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 72.32 110.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -57.58 -33.19 67.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.225 -0.922 . . . . 73.45 109.81 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.549 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -64.95 -40.85 95.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.323 -0.861 . . . . 72.15 109.842 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . 38.7 mt -73.5 -37.11 65.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 75.44 109.428 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' SG ' ' A' ' 26' ' ' CYS . 14.3 tp -84.39 -0.96 54.67 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 75.21 110.264 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 50.95 31.5 6.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 73.32 110.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CD2' ' A' ' 24' ' ' LEU . 18.5 m -75.86 176.22 8.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 65.51 110.401 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -125.85 168.07 14.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 64.34 110.071 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -178.34 91.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 72.02 110.204 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 163.0 26.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.407 -1.477 . . . . 72.13 109.407 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.8 tp -61.1 -18.06 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 74.33 110.206 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.09 -17.68 21.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 75.52 109.908 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.435 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -167.47 133.39 2.89 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.276 -1.53 . . . . 73.13 109.276 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CE ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -129.03 130.6 46.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -1.164 . . . . 75.34 110.127 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 143.11 35.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 62.14 110.541 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -120.44 123.88 44.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.478 -0.764 . . . . 73.32 109.644 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' ' 26' ' ' CYS . 16.6 mt -107.35 146.52 31.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 74.1 110.555 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 140.78 51.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.378 -0.826 . . . . 75.3 110.245 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -130.09 164.22 24.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 70.45 110.144 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.6 p90 -156.59 165.71 35.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.253 -0.904 . . . . 74.22 110.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -57.55 -159.78 0.02 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.641 -1.383 . . . . 72.34 109.641 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -104.33 10.18 35.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.235 -1.156 . . . . 74.52 110.21 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.13 56.26 3.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 75.04 110.125 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -129.34 177.39 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.294 -0.879 . . . . 73.51 110.138 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.5 t -143.14 -33.68 0.44 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.266 -0.897 . . . . 64.32 110.605 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 8.7 t30 -143.8 26.59 1.55 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.113 -0.992 . . . . 75.45 110.408 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER 66.48 132.75 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.179 -0.951 . . . . 74.53 110.334 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -178.44 -151.64 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.436 -0.79 . . . . 74.03 110.039 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -122.72 -12.09 8.12 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.186 -0.946 . . . . 75.52 109.888 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 48' ' ' TRP . 33.9 p 43.0 -166.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.301 -0.874 . . . . 73.0 110.392 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.65 63.64 1.2 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 74.11 110.126 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.44 74.0 0.46 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.374 -0.829 . . . . 74.52 110.144 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 141.77 34.07 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 65.04 110.234 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -68.6 159.66 52.64 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 123.953 1.502 . . . . 74.02 110.132 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 ' HB ' ' OD1' ' A' ' 3' ' ' ASP . 20.2 mm -113.4 138.49 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.279 -0.888 . . . . 64.12 110.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.2 t -96.58 139.17 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.857 . . . . 74.53 110.09 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -123.49 149.32 45.3 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.268 -0.895 . . . . 74.42 110.248 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 43.5 p -107.38 139.22 42.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.296 -0.878 . . . . 70.15 110.198 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -126.13 127.02 45.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 73.31 110.202 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 129.24 28.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 75.22 109.874 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.9 pp -97.15 136.73 37.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.184 -0.947 . . . . 72.24 110.388 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.13 -176.08 5.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 74.21 109.892 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -15.64 10.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.165 -0.96 . . . . 75.34 110.041 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.86 -13.07 58.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 63.31 110.181 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 7.13 76.83 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.764 -1.334 . . . . 73.52 109.764 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 10.2 ttm180 -91.18 121.78 33.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.236 . . . . 75.34 110.03 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.422 ' CG2' ' HB2' ' A' ' 58' ' ' LYS . 70.8 m -76.5 131.61 39.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 74.35 110.585 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.3 m170 -105.93 142.82 34.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.325 -0.859 . . . . 70.41 109.801 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.4 m-70 -116.83 137.21 52.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 73.42 110.452 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 18.5 m-85 -123.73 127.6 48.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 70.33 110.147 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.16 129.31 31.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 75.31 110.32 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.68 144.45 41.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -0.959 . . . . 74.25 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.2 p90 -153.33 159.67 42.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 65.42 109.865 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.555 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 7.8 m-70 -98.01 157.52 16.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 71.01 110.759 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG22 ' CG2' ' A' ' 83' ' ' VAL . 78.6 t -123.92 140.43 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.471 -0.768 . . . . 74.23 109.488 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' OE2' ' OD1' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -107.96 126.99 53.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.031 -1.043 . . . . 74.44 110.777 -179.443 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.93 177.08 4.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 73.42 109.752 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -79.72 -13.48 59.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 75.24 110.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -24.24 11.95 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.113 -0.992 . . . . 74.02 110.676 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -175.84 -160.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.03 -1.044 . . . . 74.42 110.552 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.91 133.59 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 74.42 109.95 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.92 157.54 25.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.121 -0.987 . . . . 75.24 110.507 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' NE2' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -112.92 136.73 52.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 71.23 109.513 179.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 73.2 t -110.94 135.48 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.193 -0.942 . . . . 72.23 110.735 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.606 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 10.6 m-70 -129.38 117.77 21.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.391 -0.818 . . . . 73.4 109.909 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.499 ' HB3' ' CE ' ' A' ' 101' ' ' MET . 3.8 pp -129.36 152.62 48.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 74.2 110.252 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 tt0 -131.49 132.04 43.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 73.22 110.258 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.0 147.68 50.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 75.21 109.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 99' ' ' ILE . 1.5 ptmm? -134.29 144.23 48.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.153 -0.967 . . . . 73.43 110.574 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -86.53 135.15 33.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.444 -0.785 . . . . 64.02 110.117 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 91' ' ' LYS . 84.2 p -129.84 139.4 51.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.124 -0.985 . . . . 62.45 110.57 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 90' ' ' SER . 18.7 tptm 57.76 124.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.392 -0.818 . . . . 75.34 110.959 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 91' ' ' LYS . 4.0 tt0 41.55 -160.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.304 -0.873 . . . . 73.22 110.409 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' TYR . 1.3 m-80 -88.38 24.43 1.92 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 75.43 109.979 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -44.11 161.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 72.23 110.095 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 91.4 mm-40 -70.1 140.79 88.48 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.186 -0.946 . . . . 75.52 110.105 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 95' ' ' GLN . 17.1 Cg_exo -62.63 144.95 95.05 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.942 1.496 . . . . 74.1 110.434 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -111.54 128.77 56.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 64.42 109.87 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -58.66 123.88 17.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.98 . . . . 72.1 110.021 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.46 HG21 ' HG2' ' A' ' 88' ' ' LYS . 6.3 pt -111.93 -14.98 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 75.33 110.159 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 71.2 m-80 -149.05 128.9 13.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 72.44 109.931 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.533 ' HB3' ' CG1' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -149.62 119.66 7.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 74.13 110.608 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 49.7 p90 -147.52 163.87 35.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 75.43 109.952 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 80.7 t -127.1 151.61 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 75.34 110.475 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -109.55 118.3 36.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.483 -0.761 . . . . 72.23 110.126 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.73 127.68 26.56 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 74.22 110.179 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.37 131.16 18.49 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.883 1.465 . . . . 73.22 110.534 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.84 -19.57 28.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.035 -1.226 . . . . 70.33 110.035 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -117.14 168.46 10.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.034 -1.274 . . . . 74.23 110.453 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.4 135.05 36.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 75.41 110.076 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -55.46 133.73 50.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.91 . . . . 72.51 110.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.523 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.2 t80 -119.97 111.57 18.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 73.04 110.096 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 43.4 p90 -75.94 144.44 41.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.111 -0.993 . . . . 73.25 110.195 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.453 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -94.4 -48.23 6.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.942 . . . . 75.22 110.523 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.533 ' CG1' ' HB3' ' A' ' 101' ' ' MET . 91.9 mt -101.45 -73.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 74.45 110.299 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' CB ' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.127 -0.983 . . . . 72.1 110.211 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.578 -1.409 . . . . 64.44 109.578 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -104.35 2.48 31.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -1.144 . . . . 74.15 110.167 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.49 -40.75 76.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 73.42 110.195 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -55.9 -46.83 78.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 74.41 110.238 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 37.5 mt-30 -60.92 -35.57 77.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.312 -0.867 . . . . 72.43 109.934 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.85 -46.11 71.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.399 -0.813 . . . . 72.31 109.89 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.41 -33.17 64.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.35 -0.844 . . . . 74.41 109.608 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' SER . 31.3 m-20 -53.61 -48.83 68.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 72.25 110.375 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.7 ptm180 -72.09 -33.35 67.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 75.41 110.351 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.37 -45.98 61.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 73.14 109.545 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.21 -32.99 49.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.387 -0.821 . . . . 70.2 109.921 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 30.5 t -59.4 -50.64 73.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 73.2 110.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 15.1 ptp -65.23 -31.59 72.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 74.43 109.854 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' ' HE1' ' A' ' 101' ' ' MET . 40.9 t -74.06 -51.71 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 73.32 110.344 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 23.3 pt-20 -62.55 -21.46 65.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 75.22 110.117 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -102.22 -14.38 17.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 73.33 109.838 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.428 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 1.7 t30 -42.0 128.68 3.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.406 -0.809 . . . . 74.11 110.527 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -66.46 -45.05 81.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 74.23 109.764 179.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.16 92.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.739 -0.601 . . . . 71.24 110.359 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 HG22 ' A' ' 20' ' ' ILE . 48.2 mm -72.32 -32.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.932 . . . . 74.2 109.878 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 2.1 ttt-85 -51.14 -37.78 48.2 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.911 . . . . 73.04 109.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -29.51 67.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.402 -0.811 . . . . 72.25 109.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 51.3 mt -73.4 -45.14 56.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 73.33 109.454 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 1.2 mm? -87.4 -9.73 53.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.448 -0.783 . . . . 74.14 110.0 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 37.3 mt-30 57.57 31.6 20.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.262 -0.899 . . . . 75.43 110.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -89.17 175.9 7.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 75.42 110.22 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 150.65 22.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 71.11 110.573 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 28' ' ' ASP . 40.7 t0 -173.45 75.89 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.365 -0.835 . . . . 70.13 110.107 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -146.71 175.39 26.15 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.559 -1.416 . . . . 75.34 109.559 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 tt -65.65 -21.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.286 -1.126 . . . . 73.35 110.445 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -87.52 -23.0 24.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.195 -0.941 . . . . 74.41 110.19 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 33' ' ' LYS . . . -176.77 136.06 3.06 Favored Glycine 0 N--CA 1.485 1.922 0 C-N-CA 119.453 -1.356 . . . . 65.42 109.769 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -128.32 156.95 42.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.336 -1.096 . . . . 73.54 109.967 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -105.96 142.95 34.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 53.03 110.264 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 121.87 40.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.355 -0.841 . . . . 74.43 110.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 76' ' ' SER . 10.7 mt -110.09 147.25 33.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 74.3 110.859 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -114.88 134.72 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 64.14 110.307 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 74' ' ' VAL . . . -140.08 160.21 40.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 71.24 110.232 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 8.0 p90 -150.81 171.68 16.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 73.21 110.245 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -79.13 -168.69 35.78 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.735 -1.346 . . . . 73.35 109.735 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -145.18 136.84 25.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.42 -1.047 . . . . 61.24 110.255 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.05 108.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 75.11 110.284 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' ' HB ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -145.41 136.73 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.877 . . . . 64.33 110.155 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 14.5 t -178.36 32.9 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.365 -0.834 . . . . 63.03 110.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -154.18 -151.61 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.178 -0.951 . . . . 74.11 110.279 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' LYS . 2.3 m-20 -123.83 147.15 47.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.074 -1.016 . . . . 64.11 110.581 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' ASP . 10.4 mmtp 40.73 -159.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.465 -0.772 . . . . 74.51 110.876 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 11.7 m0 48.68 48.08 20.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.512 -0.743 . . . . 74.12 110.427 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -120.08 -80.0 0.61 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.514 -0.741 . . . . 74.51 109.417 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.528 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.48 65.08 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.227 0.537 . . . . 74.54 111.791 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER 64.64 86.99 0.12 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.088 -1.008 . . . . 73.01 110.188 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.11 166.35 31.84 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.194 -0.941 . . . . 74.13 110.522 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.6 160.19 49.18 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.158 1.609 . . . . 74.34 110.478 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 54' ' ' ILE . 23.9 mm -81.01 130.57 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.797 . . . . 72.55 110.432 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -114.76 149.73 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.338 -0.851 . . . . 74.33 109.937 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.6 144.43 50.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.244 -0.91 . . . . 73.3 110.385 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -103.5 141.93 35.15 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.257 -0.902 . . . . 65.44 110.368 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -131.39 125.99 34.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 75.12 110.182 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -128.66 135.86 49.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 65.31 110.182 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.18 136.83 54.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 65.42 110.231 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -171.89 2.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 73.31 110.259 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -61.72 -15.99 45.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 65.24 110.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.91 -13.24 59.52 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.107 -0.996 . . . . 74.14 110.244 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.83 11.54 82.62 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.535 -1.426 . . . . 74.2 109.535 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.1 ttt180 -83.93 123.81 30.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -1.113 . . . . 73.32 109.946 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 18.2 m -81.48 134.21 35.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.258 -0.901 . . . . 73.23 110.71 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.13 142.38 47.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.462 -0.774 . . . . 74.21 109.606 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 7.8 t-80 -128.53 138.83 52.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.081 -1.012 . . . . 64.11 110.75 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' OH ' ' ND1' ' A' ' 67' ' ' HIS . 91.4 m-85 -123.08 126.14 46.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.437 -0.79 . . . . 62.22 109.503 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.469 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -137.19 135.12 37.01 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.011 -1.055 . . . . 74.35 110.682 -179.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.492 ' HD3' ' CE1' ' A' ' 84' ' ' HIS . 1.8 ptt180 -144.57 152.28 40.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.388 -0.82 . . . . 75.01 109.71 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.5 p90 -156.55 164.47 38.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.042 -1.036 . . . . 74.25 110.28 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.99 147.81 27.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.85 . . . . 75.34 110.52 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 83' ' ' VAL . 66.5 t -125.37 131.13 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 74.31 109.567 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG2' HG13 ' A' ' 80' ' ' ILE . 1.5 tt0 -108.53 132.53 53.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.114 -0.992 . . . . 70.3 110.824 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 36' ' ' LEU . 1.5 m -116.49 171.71 7.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.327 -0.858 . . . . 74.32 109.813 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -73.92 -15.81 61.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.082 -1.011 . . . . 74.2 110.246 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -103.86 -29.44 10.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -0.95 . . . . 74.34 110.342 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 2.4 mtmt -170.67 -170.89 0.96 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.325 -0.859 . . . . 75.42 110.326 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 80' ' ' ILE . 5.2 mp -125.86 143.38 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.88 . . . . 75.13 110.051 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.23 155.18 47.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 55.15 110.513 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 15.2 tp -113.33 133.87 54.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 62.12 109.642 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.538 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 20.9 t -106.49 136.18 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.082 -1.011 . . . . 75.52 110.858 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.07 120.14 24.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.522 -0.737 . . . . 74.01 109.65 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.28 154.0 50.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.051 -1.031 . . . . 71.45 110.859 -179.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.32 136.04 49.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.433 -0.792 . . . . 75.04 109.721 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -129.55 133.17 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.059 -1.026 . . . . 74.22 110.501 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 10.2 ptmt -134.53 143.77 47.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 72.33 110.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 93' ' ' ASN . 0.9 OUTLIER -89.3 138.47 31.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 74.3 110.395 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.0 p -130.42 137.95 50.09 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.157 -0.964 . . . . 72.24 110.802 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 65.35 -73.23 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 74.44 111.155 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -90.78 143.43 26.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.044 . . . . 74.21 110.568 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 16.9 m-80 -88.88 51.18 2.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 73.02 110.045 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -144.87 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.855 . . . . 75.12 110.106 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -66.71 134.58 94.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 71.31 109.562 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -69.76 148.23 64.61 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.916 1.482 . . . . 73.23 110.423 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.59 138.3 38.77 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.28 -0.887 . . . . 73.32 110.091 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -62.31 132.47 52.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.371 -0.83 . . . . 75.11 110.274 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 HD12 ' HG2' ' A' ' 88' ' ' LYS . 1.6 pt -118.41 -15.52 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.233 -0.917 . . . . 73.44 109.976 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -150.78 131.15 13.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 75.44 109.797 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.526 ' HE3' ' CG1' ' A' ' 83' ' ' VAL . 1.8 tpt -148.54 118.84 7.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.133 -0.979 . . . . 75.14 110.672 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 15.0 p90 -148.6 157.6 43.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 72.52 110.134 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 104' ' ' ASP . 80.9 t -121.6 155.38 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.197 -0.939 . . . . 75.43 110.214 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.504 ' N ' HG12 ' A' ' 103' ' ' VAL . 5.6 t0 -123.99 121.26 34.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 65.14 110.463 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 108' ' ' GLU . 2.6 p -118.7 128.73 25.8 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 71.32 109.881 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -62.73 130.89 31.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 123.872 1.459 . . . . 73.43 111.025 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.82 -17.08 33.13 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.426 -1.07 . . . . 73.02 110.426 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.468 ' HB3' HG12 ' A' ' 105' ' ' VAL . 2.0 mm-40 -118.18 164.11 15.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.011 -1.288 . . . . 75.13 110.609 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 120.63 25.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.848 . . . . 70.03 110.168 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 2.5 ptm180 -55.44 139.84 42.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.237 -0.914 . . . . 74.33 110.024 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.444 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -117.13 132.96 56.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 74.01 110.145 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 21.7 p90 -80.94 137.9 36.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 72.53 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.501 ' CB ' ' HG3' ' A' ' 101' ' ' MET . 0.2 OUTLIER -90.86 -36.84 13.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 73.22 109.97 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.6 mt -123.32 -43.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.169 -0.957 . . . . 70.43 110.178 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.54 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 74.01 110.213 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.44 -1.464 . . . . 74.24 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.09 45.77 1.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -1.089 . . . . 63.54 110.222 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 0.8 OUTLIER -57.59 -38.06 74.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 75.51 109.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -59.63 -51.76 68.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 73.21 109.918 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -52.66 -33.1 45.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 74.51 109.809 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.38 83.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 74.21 109.831 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.99 -33.39 57.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.36 -0.837 . . . . 74.04 109.66 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.22 -47.91 83.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 75.05 110.643 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.6 ptm180 -69.26 -32.59 71.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.126 -0.984 . . . . 75.41 110.467 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.33 -41.83 69.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 74.11 110.019 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.585 ' CG2' ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.0 -30.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.289 -0.882 . . . . 73.33 109.911 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.14 -49.27 78.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 74.23 110.252 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 16.8 ptt? -69.19 -31.21 69.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 75.14 109.825 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.3 t -72.53 -41.59 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.382 -0.823 . . . . 75.54 110.438 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 12' ' ' SER . 11.2 pt-20 -73.03 -19.96 61.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.164 -0.96 . . . . 74.15 110.393 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 13' ' ' MET . 15.8 ptmt -105.98 -14.09 15.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.122 -0.986 . . . . 73.34 109.838 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.6 t-20 -46.69 131.0 11.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.815 . . . . 73.34 110.523 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 34.1 mtpt -66.53 -44.88 81.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.28 -0.887 . . . . 65.02 110.044 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 23.6 m-20 -55.78 -44.07 77.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 73.53 110.14 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -73.72 -32.82 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.291 -0.88 . . . . 75.44 110.269 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.613 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -50.6 -32.11 17.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 75.32 109.91 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.613 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.1 m -68.91 -37.88 79.23 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.463 -0.773 . . . . 73.35 109.747 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 9.8 mt -73.64 -41.7 62.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 74.55 110.119 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 36' ' ' LEU . 1.1 mt -83.71 -7.7 59.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 75.22 110.4 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.8 31.52 3.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 71.11 110.007 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 22.0 p -81.33 139.95 35.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 65.52 110.065 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 7.7 m-20 -85.34 -175.62 5.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.339 -0.851 . . . . 64.03 110.157 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 174.73 93.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 71.34 110.057 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -160.71 163.73 34.27 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.555 -1.418 . . . . 25.11 109.555 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -55.45 -24.8 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -1.107 . . . . 64.12 110.416 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 30' ' ' ILE . 8.3 t -82.4 -18.31 42.38 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.187 -0.945 . . . . 74.25 110.19 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.05 127.44 1.17 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.257 -1.537 . . . . 64.14 109.257 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -121.03 121.77 38.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 64.14 110.646 -179.685 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' A' ' 26' ' ' CYS . 8.0 tp10 -75.84 143.08 42.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 60.23 109.595 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 114.86 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.151 -0.968 . . . . 75.34 109.992 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 11.6 mt -96.25 146.79 24.4 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.866 . . . . 72.45 110.196 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.44 137.18 54.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.566 -0.709 . . . . 75.31 110.551 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' CG2' ' A' ' 11' ' ' VAL . . . -124.73 161.55 26.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.467 -0.77 . . . . 75.45 109.885 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -160.31 162.79 33.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.965 . . . . 73.3 110.502 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . -82.63 -128.31 1.19 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.676 -1.37 . . . . 73.25 109.676 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 2.2 mt-10 -87.91 -175.69 5.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.335 -1.097 . . . . 71.43 110.369 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 62.8 136.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.927 . . . . 74.32 110.173 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 pt -57.98 -173.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.92 . . . . 73.44 110.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' ASN . 49.2 m -71.28 -84.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.365 -0.834 . . . . 75.14 110.535 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' THR . 11.6 t30 63.39 130.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 74.14 109.898 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -143.31 166.49 24.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.142 -0.974 . . . . 75.1 110.717 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 18.4 mmtp 52.91 174.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.803 . . . . 75.2 110.943 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.494 ' O ' ' HB ' ' A' ' 49' ' ' THR . 71.4 m95 60.98 7.15 1.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.8 -0.562 . . . . 65.42 111.786 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 170.46 -177.17 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.789 -1.195 . . . . 75.13 110.91 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' N ' ' OG1' ' A' ' 49' ' ' THR . 2.3 ttp85 -111.66 127.03 55.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 74.3 109.779 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -64.77 158.52 24.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.141 -0.975 . . . . 70.33 110.548 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -80.65 135.23 52.92 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.422 -0.799 . . . . 75.24 110.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.85 159.79 51.47 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 123.992 1.522 . . . . 74.52 110.468 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.489 HG23 ' CE ' ' A' ' 70' ' ' MET . 17.2 mm -80.66 134.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.293 -0.879 . . . . 73.01 110.452 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 56' ' ' SER . 58.9 t -96.75 152.98 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.469 -0.769 . . . . 73.32 109.709 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 3.9 p -129.93 147.37 51.68 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.058 -1.026 . . . . 74.23 110.621 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 65.1 p -99.98 133.79 43.84 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.457 -0.777 . . . . 73.41 109.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -118.45 124.41 47.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 72.2 110.42 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -127.49 129.09 46.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 72.4 109.626 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -123.35 145.77 48.48 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.151 -0.968 . . . . 73.22 110.438 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -96.22 -172.27 2.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 71.12 110.059 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -7.52 30.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.279 -0.888 . . . . 74.31 109.767 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -83.78 -14.22 51.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.269 -0.894 . . . . 61.42 110.193 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.19 3.66 67.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.35 -1.1 . . . . 45.44 110.35 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' NH1' ' HD2' ' A' ' 88' ' ' LYS . 8.7 ttm180 -90.71 121.92 33.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.041 -1.27 . . . . 75.11 110.121 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 60' ' ' LEU . 7.1 m -96.4 140.15 31.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.255 -0.903 . . . . 73.14 110.764 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -113.55 148.96 35.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.421 -0.799 . . . . 65.44 109.571 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 t-160 -124.14 140.52 52.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.148 -0.97 . . . . 74.23 110.789 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 59' ' ' LYS . 95.8 m-85 -120.73 120.18 34.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.427 -0.795 . . . . 75.14 109.9 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.499 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -135.47 142.78 45.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 75.23 110.368 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -149.97 148.24 28.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -0.869 . . . . 75.34 110.495 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 7.9 p90 -148.97 152.52 36.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.297 -0.877 . . . . 75.41 109.99 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.498 ' CD2' HD13 ' A' ' 82' ' ' LEU . 19.5 m80 -87.67 153.16 21.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 74.51 110.633 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 HG22 ' A' ' 83' ' ' VAL . 59.7 t -123.77 132.01 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.45 -0.781 . . . . 74.4 109.668 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.36 119.18 34.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.085 -1.009 . . . . 75.33 110.633 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.538 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 82.8 p -111.31 168.41 9.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.333 -0.855 . . . . 75.24 109.982 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -72.14 -13.94 61.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.905 . . . . 72.51 110.268 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -100.01 -28.65 12.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 75.02 110.512 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -175.69 -157.56 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.098 -1.001 . . . . 72.51 110.2 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 mt -135.31 144.6 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.394 -0.816 . . . . 73.31 109.928 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -134.51 157.73 45.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.167 -0.958 . . . . 72.33 110.745 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' A' ' 73' ' ' HIS . 12.1 tp -116.99 127.5 54.25 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 74.52 109.493 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 24.2 t -106.94 131.53 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.157 -0.964 . . . . 74.24 110.951 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -123.76 122.79 38.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.526 -0.734 . . . . 64.33 109.258 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.8 pp -134.2 149.7 51.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.993 -1.067 . . . . 74.25 111.167 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.33 134.33 52.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.586 -0.696 . . . . 64.41 109.247 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.01 152.26 33.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.961 -1.087 . . . . 64.24 110.724 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.479 ' HD2' ' NH1' ' A' ' 65' ' ' ARG . 22.5 ttpt -128.67 141.02 51.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.405 -0.809 . . . . 75.03 109.874 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 2.2 pp20? -92.1 130.27 37.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 71.22 110.382 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -129.31 127.74 41.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 75.42 110.179 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' CD ' ' HB2' ' A' ' 92' ' ' GLN . 0.9 OUTLIER 57.19 114.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.895 . . . . 75.1 110.255 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.511 ' HB2' ' CD ' ' A' ' 91' ' ' LYS . 1.4 tt0 64.18 167.42 0.16 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 65.52 110.202 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -94.91 33.36 1.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 72.14 110.122 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -163.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 72.21 110.088 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -70.89 122.85 88.06 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 73.33 110.074 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -58.78 162.08 13.81 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.869 1.457 . . . . 74.24 110.516 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.5 137.34 47.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 62.44 109.998 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -60.66 135.6 57.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 74.13 110.291 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.47 HD12 HG22 ' A' ' 99' ' ' ILE . 5.1 pt -118.26 -14.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 75.13 109.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 26.4 m120 -156.84 129.79 7.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.422 -0.799 . . . . 71.05 109.738 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.458 ' HE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.24 124.41 10.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.165 -0.959 . . . . 65.41 110.534 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.584 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 13.8 p90 -147.41 150.89 35.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.359 -0.838 . . . . 74.31 109.997 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 110' ' ' ARG . 14.5 p -119.4 144.46 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.997 . . . . 75.55 110.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.46 126.54 53.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.233 -0.917 . . . . 73.42 110.476 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -121.26 124.18 27.42 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.255 -0.903 . . . . 74.53 110.182 179.818 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.67 126.99 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.874 1.46 . . . . 72.31 110.323 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.99 -20.16 26.55 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.787 -1.325 . . . . 61.15 109.787 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 3.3 mt-10 -118.69 159.34 23.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.236 . . . . 75.32 110.2 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -79.26 146.35 33.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 72.21 109.932 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 23.0 ptt180 -62.67 138.14 58.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 74.43 110.452 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.44 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.1 t80 -109.44 133.36 53.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 73.14 110.065 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 115' ' ' LYS . 3.1 p90 -82.52 144.38 30.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 75.41 110.231 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.435 HD21 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -101.4 -28.62 12.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 75.14 110.102 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' LYS . 14.0 mt -125.02 -67.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.386 -0.821 . . . . 74.45 110.236 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.33 -0.856 . . . . 73.22 110.151 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.259 0.552 . . . . 74.43 110.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.488 HG22 ' ND2' ' A' ' 8' ' ' ASN . 33.3 m -56.45 -50.35 71.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 51.4 110.057 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 58.6 mt-30 -56.25 -34.65 66.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.858 . . . . 33.5 109.881 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -46.31 71.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.294 -0.879 . . . . 73.32 109.848 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -35.03 58.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 71.01 109.932 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.488 ' ND2' HG22 ' A' ' 4' ' ' THR . 70.8 m-20 -56.62 -51.25 69.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 72.22 110.488 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -67.84 -31.27 70.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 74.52 110.447 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 13' ' ' MET . . . -69.3 -43.25 74.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 64.42 110.046 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.836 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -35.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.199 -0.938 . . . . 75.51 109.823 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.7 t -58.03 -51.68 68.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 62.34 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.543 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 25.4 ptm -64.59 -31.94 73.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.381 -0.824 . . . . 55.12 110.082 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 113' ' ' LEU . 37.6 t -75.37 -39.06 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.775 . . . . 61.3 111.338 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 12' ' ' SER . 15.6 pt-20 -78.23 -22.32 48.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.992 -1.068 . . . . 65.55 110.979 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -89.9 -15.93 31.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.923 -1.11 . . . . 75.21 109.821 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 36.0 t-20 -56.25 125.62 22.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 75.12 110.504 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -32.82 74.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 73.02 110.072 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 1.3 m-20 -59.52 -50.07 75.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.211 -0.931 . . . . 74.12 109.813 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -71.4 -32.54 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.237 -0.914 . . . . 72.54 109.578 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 24.5 ttp180 -53.24 -33.56 53.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.459 -0.775 . . . . 65.03 109.86 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -39.57 78.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 64.43 110.277 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HD1' ' A' ' 111' ' ' TYR . 12.4 mt -63.93 -45.45 89.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 71.23 109.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD12 ' CB ' ' A' ' 76' ' ' SER . 2.1 mm? -76.63 1.8 15.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 74.32 110.211 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 54.89 29.56 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 73.55 109.834 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' LEU . 4.6 m . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.518 -0.739 . . . . 71.31 110.294 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.654 -0.498 . . . . 71.1 109.654 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 26' ' ' CYS . 15.4 mt -109.92 146.05 35.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.081 -1.012 . . . . 51.34 111.338 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 147.22 52.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.061 -0.718 . . . . 75.45 109.061 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.836 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -138.05 162.83 33.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.982 -1.074 . . . . 64.33 111.095 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -148.79 172.26 14.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.654 -0.654 . . . . 74.43 109.535 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.557 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 110.18 -1.168 . . . . 73.13 110.18 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.557 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 34.3 mm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.388 0.613 . . . . 71.22 109.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.0 148.07 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.835 . . . . 74.12 110.381 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -127.74 151.43 49.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 71.22 110.081 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -114.61 145.14 42.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.332 -0.855 . . . . 65.1 110.649 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -136.7 127.33 27.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.925 . . . . 63.15 110.037 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 54.2 110.086 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.095 0.474 . . . . 74.15 109.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -81.09 132.53 35.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 65.31 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -113.86 148.75 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 75.43 109.791 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 56' ' ' SER . 3.2 t-160 -117.49 142.92 46.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 65.2 110.393 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 41.2 m-85 -127.15 122.22 33.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -0.79 . . . . 52.3 109.808 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.24 130.35 46.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 73.11 110.468 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -129.96 140.46 50.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 74.45 110.014 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.3 p90 -150.92 169.5 21.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.293 -0.88 . . . . 74.54 110.002 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -111.43 155.62 22.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 74.31 110.522 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.578 HG22 ' CB ' ' A' ' 38' ' ' ALA . 41.5 t -124.11 139.8 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 73.11 109.671 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' HG12 ' A' ' 80' ' ' ILE . 3.3 tt0 -115.91 120.13 38.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.142 -0.974 . . . . 64.55 110.54 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.628 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.0 m -108.12 -178.27 3.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.364 -0.835 . . . . 63.13 109.854 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -13.5 59.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.93 . . . . 61.12 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -29.34 9.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.866 . . . . 74.11 110.41 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.88 -171.09 0.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.163 -0.961 . . . . 71.41 110.818 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.2 mp -116.3 141.66 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 74.45 109.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.39 157.44 27.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 54.14 110.457 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 103' ' ' VAL . 18.5 tp -113.16 128.85 56.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 64.52 109.661 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 103' ' ' VAL . 90.9 t -113.01 126.65 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 53.34 111.019 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 1.9 t-80 -124.04 130.93 53.38 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.082 -0.71 . . . . 74.41 109.082 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.8 pp -141.59 153.49 44.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.893 -1.129 . . . . 71.15 111.486 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 tt0 -123.05 135.48 54.44 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.257 -0.646 . . . . 71.42 109.257 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.33 154.05 48.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.998 -1.064 . . . . 74.35 110.915 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 97' ' ' ASP . 0.3 OUTLIER -134.55 144.51 48.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.53 -0.731 . . . . 73.43 109.77 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.149 -0.969 . . . . 71.05 110.211 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.484 0.944 0 N-CA-C 110.467 -0.628 . . . . 73.3 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.478 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . 80.7 m-20 -115.25 118.57 33.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 73.32 110.098 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE1' ' NH1' ' A' ' 9' ' ' ARG . 83.0 m-85 -80.01 136.06 36.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.906 . . . . 71.41 110.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -24.67 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.27 -0.893 . . . . 65.1 109.842 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.77 129.16 27.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 64.13 110.19 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.695 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -149.06 115.46 5.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 74.41 110.044 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 24.6 p90 -146.82 163.61 35.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -0.974 . . . . 73.34 110.164 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 82' ' ' LEU . 30.7 t -128.97 159.5 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.188 -0.945 . . . . 64.41 110.59 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -125.46 117.02 22.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 72.13 109.858 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.1 m -112.73 132.87 22.06 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.121 -0.987 . . . . 73.43 110.605 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 11.8 Cg_exo -65.45 131.63 28.65 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.065 1.561 . . . . 74.34 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.93 -19.05 32.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.797 -1.321 . . . . 61.43 109.797 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.01 168.95 9.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -1.184 . . . . 71.33 110.287 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -84.81 143.17 29.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 75.34 110.205 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.25 139.08 43.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 74.1 110.19 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.809 ' HD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.87 126.03 46.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 73.41 110.551 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.2 m-85 -86.55 143.52 27.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 72.25 110.025 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -102.47 -31.11 10.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.209 -0.932 . . . . 75.41 110.191 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 101' ' ' MET . 21.1 mt -121.57 -80.4 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.285 -0.884 . . . . 72.54 110.119 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.255 -0.903 . . . . 72.31 110.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.29 0.566 . . . . 74.44 109.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -54.3 -48.28 71.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 70.33 110.221 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -33.14 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 72.44 110.134 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HB3' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -58.05 -40.95 82.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 61.34 110.026 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -34.3 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 73.32 109.897 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -58.75 -50.53 73.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.235 -0.915 . . . . 74.23 110.579 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 5.9 ptm85 -64.74 -39.02 92.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.146 -0.971 . . . . 74.02 110.354 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.76 -40.94 88.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.13 -0.981 . . . . 43.32 109.875 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.886 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -73.35 -36.53 49.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.085 -1.01 . . . . 43.21 110.092 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -53.04 -52.01 59.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 73.33 110.21 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.525 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptt? -68.49 -30.71 69.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.251 -0.905 . . . . 73.14 109.919 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.709 HG11 HG21 ' A' ' 83' ' ' VAL . 36.5 t -69.9 -49.16 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 75.33 110.404 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 12.5 pt-20 -66.64 -25.04 66.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 73.52 110.432 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -98.37 -16.94 19.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.086 -1.008 . . . . 72.22 109.958 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 13' ' ' MET . 1.7 t-20 -45.17 122.72 3.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 73.03 110.002 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -63.75 -26.23 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 74.15 110.566 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 10.7 m-20 -69.11 -45.49 70.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.24 -0.913 . . . . 73.45 110.861 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.494 HD12 HG11 ' A' ' 103' ' ' VAL . 19.4 mm -73.3 -35.96 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.165 -0.959 . . . . 73.44 110.675 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -33.15 58.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.187 -0.945 . . . . 65.15 110.468 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -38.71 74.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.224 -0.922 . . . . 45.23 110.264 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 111' ' ' TYR . 41.2 mt -72.41 -48.14 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.239 -0.913 . . . . 72.04 109.734 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -76.43 -7.2 54.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.538 -0.726 . . . . 61.34 110.131 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 59.46 39.32 22.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 75.34 110.221 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 O-C-N 121.228 -0.92 . . . . 75.21 110.102 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.209 -0.663 . . . . 75.53 109.209 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 26' ' ' CYS . 8.8 mt -99.74 146.6 26.37 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.142 -0.974 . . . . 63.23 110.893 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.57 143.98 49.87 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.667 -0.646 . . . . 75.01 109.978 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.83 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -139.04 164.69 29.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 61.24 110.312 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' O ' ' A' ' 40' ' ' GLY . 9.0 p90 -153.41 172.35 17.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.309 -0.87 . . . . 74.5 109.982 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 110.247 -1.141 . . . . 52.33 110.247 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 ' HA3' ' A' ' 40' ' ' GLY . 25.7 mm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.25 0.548 . . . . 60.21 109.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.29 150.67 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 70.0 110.419 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -129.28 150.47 50.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 61.15 110.151 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 74.8 p -111.36 143.21 42.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.248 -0.907 . . . . 72.43 110.381 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.1 ptpt -129.23 131.94 47.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 62.53 109.934 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.139 -0.975 . . . . 75.32 110.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.166 0.508 . . . . 74.32 110.18 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 m -86.21 133.71 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 62.33 110.231 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 28.7 m170 -108.74 140.91 41.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.846 . . . . 72.42 110.222 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.6 t60 -117.46 138.95 51.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 73.23 110.137 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 92.1 m-85 -122.37 130.47 53.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 73.52 110.269 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.529 ' HE3' HG21 ' A' ' 54' ' ' ILE . 3.2 ttt -136.85 139.5 41.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 62.34 110.12 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -144.67 150.91 38.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 75.34 110.241 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.886 ' CE1' HG23 ' A' ' 11' ' ' VAL . 13.8 p90 -152.33 154.26 35.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.321 -0.862 . . . . 65.53 109.946 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -91.94 157.07 17.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 73.22 110.371 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 t -132.54 135.67 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 65.05 109.804 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 80' ' ' ILE . 5.0 tt0 -120.47 126.47 50.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.162 -0.961 . . . . 75.53 110.623 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 10.9 p -116.67 176.29 5.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 33.43 109.952 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -78.93 -16.42 57.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 71.43 110.215 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' LYS . 1.1 mttm -99.07 -24.91 14.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 71.34 110.163 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 177.05 -179.81 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.308 -0.87 . . . . 71.24 110.089 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.593 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.1 mp -115.83 144.7 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 71.13 110.245 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.94 157.85 41.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 24.35 110.443 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -113.18 136.64 52.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 71.45 109.164 179.614 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.709 HG21 HG11 ' A' ' 14' ' ' VAL . 55.5 t -124.44 131.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 63.11 111.218 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.8 131.14 47.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.55 -0.719 . . . . 63.0 109.076 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 72' ' ' PHE . 2.2 pp -126.0 151.67 46.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.048 . . . . 54.35 111.161 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -131.34 131.75 43.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.577 -0.702 . . . . 61.12 109.463 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 51.11 110.748 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -112.56 144.59 41.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.45 -0.782 . . . . 73.05 109.91 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 64.43 110.412 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.584 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 48.4 Cg_endo . . . . . 0 N--CA 1.481 0.737 0 N-CA-C 110.385 -0.66 . . . . 74.11 110.385 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -101.55 123.61 45.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.956 . . . . 72.3 110.093 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 22.8 m-85 -65.72 124.62 22.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.123 -0.986 . . . . 74.11 110.144 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.06 -18.84 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.235 -0.916 . . . . 60.45 110.363 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.09 128.33 16.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 74.22 110.213 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.628 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -149.95 130.63 14.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 60.15 110.212 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -147.4 157.09 43.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 73.55 109.946 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 p -121.46 153.04 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 72.51 110.538 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.06 116.08 22.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.297 -0.877 . . . . 70.4 110.242 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.8 p -121.0 130.84 24.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.167 -0.958 . . . . 72.25 110.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.8 Cg_exo -63.01 132.09 35.37 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.931 1.49 . . . . 54.25 110.642 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.69 -20.3 24.42 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.991 -1.243 . . . . 55.33 109.991 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 105' ' ' VAL . 13.9 mm-40 -118.8 158.37 25.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.075 -1.25 . . . . 71.02 110.232 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.95 147.3 31.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.233 -0.917 . . . . 73.32 109.927 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 142.11 55.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 74.4 110.32 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -122.73 128.64 50.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.863 . . . . 71.43 109.965 179.767 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 33.4 m-85 -74.82 140.3 43.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.257 -0.902 . . . . 74.35 110.284 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -98.09 -29.63 13.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 73.23 110.067 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 101' ' ' MET . 16.5 mt -119.65 -49.36 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 75.53 110.006 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 4.5 tttm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.323 -0.861 . . . . 40.35 110.288 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.214 0.53 . . . . 65.3 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.0 m -55.78 -52.28 64.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 71.33 109.525 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.75 -30.41 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.295 -0.878 . . . . 61.44 109.075 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 2.6 tt -55.93 -44.67 78.56 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 73.21 109.658 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -76.75 -33.25 58.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.402 -0.812 . . . . 74.15 109.731 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 4' ' ' THR . 3.1 m-80 -51.59 -51.78 52.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 73.43 110.189 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -63.03 -31.97 73.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 74.44 109.88 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.14 -37.51 66.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 72.34 110.093 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -30.34 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.3 -0.875 . . . . 63.11 109.88 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -59.68 -49.6 77.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 64.42 110.303 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.02 -29.89 67.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 53.41 110.203 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 83' ' ' VAL . 34.8 t -75.02 -41.95 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.164 -0.96 . . . . 55.25 110.471 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -74.31 -21.11 59.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.898 . . . . 74.22 110.589 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -100.66 -15.33 17.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 72.33 110.105 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.64 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.1 t30 -44.95 130.61 7.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 73.02 110.537 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -66.65 -42.51 86.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.398 -0.814 . . . . 74.11 109.935 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.78 -49.39 77.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.559 -0.713 . . . . 71.52 110.354 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 103' ' ' VAL . 46.0 mm -67.54 -35.87 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 71.14 109.991 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.05 -39.93 60.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.193 -0.942 . . . . 74.23 109.394 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -65.86 -44.5 85.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.425 -0.797 . . . . 74.13 109.46 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.0 mt -63.01 -41.53 99.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.518 -0.738 . . . . 71.44 109.703 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -89.2 -10.01 48.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.341 -0.849 . . . . 72.22 110.17 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.2 mt-30 60.85 29.62 19.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 65.22 110.198 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 64.13 110.087 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.345 0.593 . . . . 63.44 109.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 15' ' ' GLU . 35.8 mt -110.23 145.45 37.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.398 -0.813 . . . . 72.23 109.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.38 130.47 56.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.164 -0.96 . . . . 71.51 110.521 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.81 163.17 21.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 71.14 110.012 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.7 p90 -152.35 157.72 41.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 72.05 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.578 -1.409 . . . . 73.35 109.578 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.249 0.547 . . . . 73.43 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' O ' ' HE1' ' A' ' 70' ' ' MET . 14.4 p -101.22 153.07 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 75.14 110.109 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 151.57 39.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.912 . . . . 72.0 110.374 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -99.74 149.38 23.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 62.44 110.031 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 3.8 ptmt -125.32 134.72 52.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.194 -0.941 . . . . 72.5 110.63 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 72.32 110.221 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.223 0.535 . . . . 53.35 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 9.1 m -78.52 137.25 37.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.223 -0.923 . . . . 64.14 110.254 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -119.32 140.44 50.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.188 -0.945 . . . . 75.2 110.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 6.6 t-80 -119.07 142.4 47.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 54.54 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 13.7 m-85 -127.44 123.96 37.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.241 -0.912 . . . . 74.43 110.086 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.455 ' HE1' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.8 141.0 48.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 63.3 110.047 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 14.7 ptt180 -149.94 144.73 26.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.195 -0.941 . . . . 70.44 110.39 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.583 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 7.0 p90 -154.86 151.73 28.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 64.22 109.915 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CG ' HD23 ' A' ' 82' ' ' LEU . 74.2 m-70 -89.8 157.14 18.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.976 . . . . 73.02 110.575 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 38' ' ' ALA . 4.5 t -125.96 133.39 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 64.44 109.921 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.89 121.5 44.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 52.21 110.34 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -115.35 162.55 16.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 72.53 110.121 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -69.27 -13.87 62.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 75.33 110.221 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 3.4 mmtm -98.86 -28.82 13.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 70.25 110.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -178.58 -161.12 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.985 . . . . 72.52 110.394 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.98 141.48 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.309 -0.87 . . . . 55.41 110.18 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 105' ' ' VAL . . . -135.89 157.38 46.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 32.35 110.389 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.1 tm? -116.4 132.29 56.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 54.25 109.584 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG21 HG11 ' A' ' 14' ' ' VAL . 77.7 t -112.84 125.74 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.144 -0.972 . . . . 75.25 111.118 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 6.3 t-160 -119.94 127.79 53.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.51 -0.744 . . . . 74.1 109.422 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.5 pp -129.16 149.59 50.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.036 -1.04 . . . . 72.14 110.867 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' OE2' HD11 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -122.94 130.0 52.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.515 -0.741 . . . . 71.14 109.377 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -114.19 138.0 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.038 -1.039 . . . . 65.31 110.565 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 99' ' ' ILE . 2.7 ttpt -121.82 139.66 53.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.478 -0.764 . . . . 65.32 109.886 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.257 -0.902 . . . . 70.13 109.95 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo . . . . . 0 N--CA 1.482 0.826 0 N-CA-C 110.264 -0.706 . . . . 73.12 110.264 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.1 m-20 -110.66 142.65 42.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 72.44 110.243 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 85' ' ' LEU . 42.4 m-85 -58.9 128.69 38.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.297 -0.877 . . . . 71.04 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 88' ' ' LYS . 6.7 pt -117.9 -23.13 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.441 -0.787 . . . . 72.11 109.818 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 78.5 m-20 -137.57 130.05 29.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.838 . . . . 63.41 109.887 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.953 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.5 122.8 9.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.011 . . . . 71.41 110.61 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 33.5 p90 -147.65 158.82 44.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 64.35 110.031 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 20' ' ' ILE . 12.0 p -122.44 151.84 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.13 -0.981 . . . . 72.45 110.409 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.89 121.62 32.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.158 -0.964 . . . . 72.01 110.284 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.495 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.2 m -114.39 133.47 22.45 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 44.35 110.086 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 19.6 Cg_exo -60.88 127.16 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.069 1.563 . . . . 63.51 110.932 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.23 -18.01 30.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.422 -1.071 . . . . 54.24 110.422 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 47.8 mt-10 -118.51 162.24 18.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.278 . . . . 73.42 110.774 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 145.51 38.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.437 -0.79 . . . . 75.2 110.096 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.4 ptt180 -76.78 140.97 40.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 73.41 110.331 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.544 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -116.44 127.89 55.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 71.23 110.035 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 115' ' ' LYS . 25.2 p90 -75.81 138.27 41.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.143 -0.973 . . . . 75.33 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.64 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.58 -35.51 12.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 50.21 109.99 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.953 HD12 ' HB2' ' A' ' 101' ' ' MET . 92.3 mt -117.5 -69.38 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 74.23 110.084 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 73.33 110.219 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.7 p30 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.307 0.575 . . . . 74.14 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 87.4 m -59.01 -31.97 69.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 74.2 109.843 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -70.55 -33.79 71.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 72.21 110.022 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.65 -40.05 95.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 72.45 109.957 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.03 -36.85 58.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 73.42 109.613 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -56.27 -50.68 70.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 73.34 110.122 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.2 ptm85 -68.34 -35.89 78.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.343 -0.848 . . . . 74.43 110.135 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.79 -43.82 78.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 62.1 110.093 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -67.79 -32.38 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 70.14 109.815 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 20.9 t -63.51 -48.73 76.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 75.33 110.108 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 7.3 ptt? -68.44 -31.54 70.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.935 . . . . 65.53 110.021 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 101' ' ' MET . 52.3 t -74.78 -40.41 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 64.32 110.838 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 12' ' ' SER . 23.1 pt-20 -76.69 -19.29 57.88 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.143 -0.973 . . . . 74.4 110.76 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 8.1 pttp -103.67 -14.52 16.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 74.45 110.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.429 ' ND2' HD11 ' A' ' 113' ' ' LEU . 1.7 t-20 -48.03 131.78 15.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 64.44 110.295 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.23 -44.62 83.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.244 -0.91 . . . . 75.43 109.996 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 54.6 m-20 -56.92 -46.34 82.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.454 -0.779 . . . . 71.23 110.111 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 34.9 mm -70.83 -34.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.218 -0.926 . . . . 70.32 109.788 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 6.3 ttp180 -53.19 -34.67 57.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.408 -0.808 . . . . 63.31 110.17 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.95 . . . . 73.4 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 111' ' ' TYR . 8.7 mt -73.59 -43.84 58.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 75.22 110.026 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -86.14 -4.35 59.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 72.15 110.195 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 54.69 39.5 31.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.182 -0.948 . . . . 71.54 109.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 5.8 t . . . . . 0 N--CA 1.487 1.397 0 O-C-N 121.422 -0.798 . . . . 64.01 110.075 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.383 0.611 . . . . 64.35 110.662 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 15' ' ' GLU . 45.8 mt -109.81 145.71 36.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 74.3 110.012 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -120.28 143.85 48.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 73.25 110.259 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.924 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -141.19 149.71 41.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.43 -0.794 . . . . 63.13 110.285 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -147.99 154.89 40.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.235 -0.916 . . . . 73.14 110.126 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 110.014 -1.234 . . . . 74.43 110.014 -179.541 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 54' ' ' ILE . 16.8 mm . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.326 0.584 . . . . 70.3 110.215 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -96.77 149.7 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 73.11 110.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m -129.66 139.75 51.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 75.31 110.62 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 20.8 p -102.91 149.72 24.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.392 -0.817 . . . . 63.23 110.007 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -129.21 132.54 47.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 74.11 110.735 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.297 -0.877 . . . . 73.31 109.769 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.307 0.575 . . . . 72.33 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.3 m -77.88 138.74 39.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 65.54 110.387 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.6 m-70 -113.83 138.7 49.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 74.22 109.81 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' THR . 2.9 m-70 -117.95 141.22 48.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.02 -1.05 . . . . 74.1 110.931 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE1' ' CD ' ' A' ' 86' ' ' GLU . 94.8 m-85 -121.34 127.28 51.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.375 -0.828 . . . . 74.44 109.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 27.8 ttm -149.09 130.5 14.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 73.44 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' HB3' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.02 148.65 35.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.356 -0.84 . . . . 72.21 109.948 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 5.6 p90 -147.68 162.3 39.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 74.22 110.128 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -95.62 159.2 15.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 52.45 110.27 -179.582 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 38' ' ' ALA . 9.1 t -127.3 135.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.403 -0.811 . . . . 62.52 109.959 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.05 120.02 40.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 63.15 110.273 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 36' ' ' LEU . 23.4 m -112.83 172.39 6.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 64.43 110.131 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -19.47 53.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 61.34 110.098 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 2.1 mttt -94.67 -26.75 16.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 74.35 109.932 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 179.74 -167.74 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.335 -0.853 . . . . 71.12 110.01 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.97 138.84 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 74.12 110.424 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.49 155.94 44.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 70.42 109.971 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 83' ' ' VAL . 5.9 tt -114.86 134.29 55.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.883 . . . . 71.05 109.901 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.81 ' N ' HD23 ' A' ' 82' ' ' LEU . 65.7 t -117.72 123.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 64.13 110.685 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 4.2 t-80 -120.88 128.9 53.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 72.52 109.286 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 98' ' ' PHE . 3.4 pp -134.95 148.24 49.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.07 -1.019 . . . . 65.21 111.246 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.488 ' CD ' ' CE1' ' A' ' 69' ' ' TYR . 2.1 tt0 -116.07 133.94 55.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.589 -0.694 . . . . 71.23 109.163 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -115.68 150.31 36.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 53.33 110.939 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -132.8 139.42 47.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.499 -0.751 . . . . 64.41 109.671 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 71.22 110.471 -179.607 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.479 0.657 0 N-CA-C 110.048 -0.789 . . . . 63.43 110.048 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -122.55 148.57 45.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.126 -0.984 . . . . 63.44 110.097 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.745 ' CD2' HD13 ' A' ' 85' ' ' LEU . 23.4 m-85 -68.76 131.91 45.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 73.11 110.401 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' HB3' ' A' ' 86' ' ' GLU . 2.9 pt -114.65 -16.58 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.909 . . . . 75.11 109.669 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 4.0 m120 -149.76 129.45 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.379 -0.825 . . . . 73.33 109.498 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.82 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.67 118.12 6.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.998 -1.064 . . . . 72.52 110.898 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 9.6 p90 -147.44 155.2 41.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.397 -0.814 . . . . 62.24 109.656 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' LEU . 8.7 p -124.34 149.5 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 61.3 110.718 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 114.97 29.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.373 -0.829 . . . . 65.5 109.597 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.17 127.1 27.41 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.87 . . . . 65.03 110.38 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -63.34 126.57 18.02 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.864 1.455 . . . . 75.53 110.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.35 -19.62 26.55 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.979 -1.248 . . . . 73.11 109.979 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -116.54 169.95 8.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.022 -1.281 . . . . 74.33 110.653 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -85.68 139.8 31.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 73.11 110.146 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.06 131.03 49.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.311 -0.868 . . . . 61.34 110.013 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ASP . 11.5 t80 -108.56 133.16 53.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.17 -0.956 . . . . 53.22 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 53.1 m-85 -88.86 134.12 34.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.327 -0.858 . . . . 71.25 110.399 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.429 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.24 -27.71 19.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.157 -0.964 . . . . 63.41 109.734 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 114' ' ' ILE . 56.5 mt -133.64 -52.04 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.331 -0.856 . . . . 72.25 110.145 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 73.33 110.259 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.218 0.533 . . . . 71.2 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -54.64 -37.14 65.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 64.22 109.9 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -59.78 -32.31 70.49 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.349 -0.844 . . . . 74.31 109.851 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.7 tp -60.21 -42.21 94.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 71.24 109.746 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.2 -33.38 59.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.86 . . . . 74.53 109.448 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.31 -44.91 72.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.433 -0.792 . . . . 62.21 110.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 8.8 ptm180 -70.76 -31.93 68.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 73.44 110.22 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.66 -42.2 78.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.089 -1.007 . . . . 72.5 109.634 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.997 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.26 -31.65 44.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.316 -0.865 . . . . 64.31 109.874 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -62.37 -50.73 70.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 63.45 110.487 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.49 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 12.3 ptt? -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.132 -0.98 . . . . 51.54 110.016 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 113' ' ' LEU . 55.5 t -74.66 -38.8 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.364 -0.835 . . . . 74.23 110.464 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 12' ' ' SER . 10.0 pt-20 -74.61 -25.61 59.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.047 -1.033 . . . . 62.54 110.452 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.5 OUTLIER -98.07 -18.03 18.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 62.2 110.039 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.4 125.32 4.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.853 . . . . 62.04 110.182 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -64.4 -38.5 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 75.43 110.01 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.527 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 6.0 m-20 -62.08 -40.51 96.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.268 -0.895 . . . . 73.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 24' ' ' LEU . 49.2 mm -75.81 -33.96 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 71.34 109.83 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 20.3 ttp85 -51.88 -40.62 60.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 74.41 109.949 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.92 77.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 73.13 110.201 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD22 ' OE2' ' A' ' 108' ' ' GLU . 12.6 mt -73.38 -40.7 64.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 74.51 110.226 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 76' ' ' SER . 1.2 mt -87.66 -9.46 54.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 55.5 110.413 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ARG . 36.4 mt-30 57.33 38.32 28.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 75.32 109.896 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' SG ' ' HG3' ' A' ' 21' ' ' ARG . 19.5 p . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.855 . . . . 75.53 110.222 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.273 0.559 . . . . 72.4 110.644 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.88 146.37 35.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 61.04 109.955 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 75' ' ' GLU . 1.0 OUTLIER -121.32 139.33 53.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.189 -0.944 . . . . 70.34 110.558 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.997 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.13 160.51 35.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.468 -0.77 . . . . 72.5 110.206 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -153.17 148.79 27.32 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.249 -0.907 . . . . 75.21 110.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.905 -1.278 . . . . 62.13 109.905 -179.68 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 54' ' ' ILE . 17.8 mm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.322 0.582 . . . . 35.33 110.187 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -103.8 153.22 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 71.24 110.357 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 m -119.92 150.29 40.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 50.02 110.286 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 41.2 p -99.43 141.69 31.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.257 -0.902 . . . . 62.13 109.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -110.22 125.39 53.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.206 -0.934 . . . . 64.41 110.357 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 12.7 mttt . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 61.21 109.984 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.069 0.461 . . . . 72.13 109.849 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.506 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 25.6 m -82.92 136.78 34.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.161 -0.962 . . . . 72.15 110.393 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -121.39 149.38 43.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 54.55 109.786 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 57' ' ' THR . 4.6 m-70 -115.95 138.41 51.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 73.25 110.105 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 33.5 m-85 -111.26 121.71 45.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 73.44 110.613 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.3 ttm -133.92 130.38 37.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 74.11 109.809 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.9 OUTLIER -140.04 154.22 47.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.15 -0.968 . . . . 64.01 110.634 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HE1' HG23 ' A' ' 11' ' ' VAL . 12.0 p90 -159.21 169.75 23.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.391 -0.818 . . . . 75.4 109.737 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -108.56 152.0 25.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 74.23 110.26 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.4 t -123.87 130.27 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.368 -0.832 . . . . 73.55 109.74 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.493 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 1.7 tt0 -110.25 117.72 34.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 72.11 110.375 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.541 ' CB ' HD22 ' A' ' 24' ' ' LEU . 6.5 p -101.49 175.79 5.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.523 -0.735 . . . . 71.32 109.907 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -13.33 59.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 72.14 110.001 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 -25.24 12.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 73.04 110.513 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -173.01 -155.11 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 70.22 110.776 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.4 mt -135.03 143.1 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 62.34 109.856 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.34 157.84 45.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 43.44 110.626 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -116.38 138.38 51.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 72.13 109.934 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 103' ' ' VAL . 92.1 t -117.23 130.22 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 61.53 110.793 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 3.3 t60 -126.93 118.64 24.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 75.45 109.69 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.635 HD13 ' CE2' ' A' ' 98' ' ' PHE . 2.0 pp -128.39 151.82 48.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 72.03 110.858 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.42 137.6 53.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.826 . . . . 75.11 109.528 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.49 154.37 37.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.051 -1.031 . . . . 72.44 111.202 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -125.69 146.41 49.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.636 -0.665 . . . . 54.34 109.674 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.506 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.063 -1.023 . . . . 55.01 110.84 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.215 -0.643 0 N-CA-C 109.994 -0.81 . . . . 71.41 109.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -129.17 139.32 51.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 73.22 110.529 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.635 ' CE2' HD13 ' A' ' 85' ' ' LEU . 18.0 m-85 -69.4 139.81 54.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 73.24 109.99 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.457 HG21 ' CD ' ' A' ' 88' ' ' LYS . 1.7 pt -120.89 -17.12 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.266 -0.896 . . . . 64.01 110.033 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 6.6 m120 -142.19 129.28 20.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 64.41 109.666 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.9 114.82 5.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.085 -1.009 . . . . 73.34 110.671 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 13.6 p90 -147.28 158.23 43.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.89 . . . . 75.1 109.919 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 83' ' ' VAL . 88.8 t -129.82 143.16 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.108 -0.995 . . . . 73.42 110.582 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.04 115.25 27.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.348 -0.845 . . . . 65.52 109.922 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.89 115.75 54.8 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 73.33 110.156 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -58.46 127.0 23.06 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.872 1.459 . . . . 74.42 110.305 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.28 -15.57 49.04 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.423 . . . . 43.5 109.544 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' OE2' HD22 ' A' ' 23' ' ' LEU . 5.1 mm-40 -117.95 163.32 16.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.183 -1.187 . . . . 74.2 110.29 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -80.27 150.28 30.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.222 -0.924 . . . . 64.42 110.221 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 123.34 18.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.289 -0.882 . . . . 61.52 110.423 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -106.45 128.74 54.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 70.33 109.799 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 21.9 p90 -91.82 132.84 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 75.21 110.547 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.56 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -86.35 -31.5 21.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 54.05 109.941 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 101' ' ' MET . 96.4 mt -131.94 -46.46 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 63.21 109.944 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.85 . . . . 60.24 110.184 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.224 0.535 . . . . 74.14 110.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.9 m -65.09 -44.95 87.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 74.2 110.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.87 -36.97 83.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.854 . . . . 72.21 109.998 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -44.21 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.36 -0.837 . . . . 72.45 110.087 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.25 -33.43 63.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 73.42 109.65 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.09 -48.77 70.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.272 -0.893 . . . . 73.34 110.529 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 9.5 ptm180 -72.35 -31.85 65.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.135 -0.978 . . . . 74.43 110.549 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.69 -45.58 71.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.074 -1.016 . . . . 62.1 109.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.927 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -64.71 -34.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.329 -0.857 . . . . 70.14 110.227 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -61.39 -49.11 78.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 75.33 110.289 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.7 ptp -67.82 -31.58 71.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.241 -0.912 . . . . 65.53 110.415 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.543 HG11 HG21 ' A' ' 83' ' ' VAL . 24.9 t -74.68 -39.79 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 64.32 110.958 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -78.73 -21.4 48.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 74.4 110.969 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 2.0 ptmm? -95.76 -17.19 21.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.95 -1.094 . . . . 74.45 110.049 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -50.76 117.1 2.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 64.44 110.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 15.9 pttm -55.65 -33.59 64.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 75.43 109.658 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' HG3' ' A' ' 18' ' ' LYS . 20.7 m-20 -62.87 -49.63 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.301 -0.875 . . . . 71.23 109.607 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -73.41 -32.47 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 70.32 109.593 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 ttm180 -53.82 -32.78 53.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 63.31 110.275 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -33.64 76.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.363 -0.836 . . . . 73.4 110.216 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 mt -70.8 -45.49 64.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 75.22 109.55 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.77 -10.27 59.29 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.535 -0.728 . . . . 72.15 110.722 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 48.62 31.86 3.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 71.54 109.742 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 30.9 p . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 64.01 110.782 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.344 0.592 . . . . 64.35 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 15' ' ' GLU . 12.2 mt -99.07 147.18 25.31 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.335 -0.853 . . . . 74.3 109.998 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 129.81 56.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 73.25 110.789 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.59 147.17 52.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.412 -0.805 . . . . 63.13 109.72 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -157.56 167.22 30.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 73.14 110.44 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.488 -1.445 . . . . 74.43 109.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.337 0.589 . . . . 70.3 110.352 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -97.69 146.64 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.301 -0.875 . . . . 73.11 110.022 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -124.9 149.94 47.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.931 . . . . 75.31 110.398 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.2 p -100.23 140.89 33.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 63.23 110.31 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -127.73 133.54 49.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 74.11 110.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.883 . . . . 73.31 110.283 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.245 0.545 . . . . 72.33 110.052 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.7 m -92.58 132.88 36.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.34 -0.85 . . . . 65.54 110.349 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -112.26 140.3 47.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 74.22 109.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.63 137.55 53.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 74.1 110.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.0 m-85 -126.01 121.38 32.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.877 . . . . 74.44 109.974 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 ttp -140.02 138.68 35.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -0.936 . . . . 73.44 110.554 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.36 148.19 34.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.243 -0.911 . . . . 72.21 110.099 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 1.5 p90 -147.93 154.87 40.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.196 -0.94 . . . . 74.22 110.212 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.54 ' CG ' HD23 ' A' ' 82' ' ' LEU . 53.5 m80 -99.28 160.16 14.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 52.45 110.466 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.7 t -123.8 146.11 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 62.52 109.616 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -119.28 118.77 32.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 63.15 110.95 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.462 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -117.14 173.5 6.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.773 . . . . 64.43 109.738 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -78.62 -14.28 59.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 61.34 109.956 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -97.3 -25.35 15.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 74.35 110.303 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER 174.91 -176.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.157 -0.964 . . . . 71.12 110.197 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 74' ' ' VAL . 19.0 mt -114.9 139.56 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.361 -0.837 . . . . 74.12 109.586 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -124.48 157.93 34.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 70.42 110.686 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 82' ' ' LEU . 1.5 tm? -120.67 127.36 51.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.346 -0.846 . . . . 71.05 110.03 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 52.8 t -110.9 133.13 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.31 -0.869 . . . . 64.13 110.272 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 2.0 t60 -129.83 136.8 49.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 72.52 109.885 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -142.54 148.21 37.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.165 -0.959 . . . . 65.21 110.565 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -122.68 137.53 54.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -0.789 . . . . 71.23 109.622 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB2' ' HD1' ' A' ' 98' ' ' PHE . . . -132.76 148.63 52.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.151 -0.968 . . . . 53.33 110.823 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.51 ' HG3' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -134.72 146.2 49.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.494 -0.754 . . . . 64.41 109.004 179.562 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.1 pt-20 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.044 -1.035 . . . . 71.22 110.996 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 N--CA 1.479 0.636 0 N-CA-C 110.193 -0.733 . . . . 63.43 110.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.51 ' OD1' ' HG3' ' A' ' 88' ' ' LYS . 8.5 p-10 -116.38 141.13 48.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 63.44 110.571 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' A' ' 87' ' ' ALA . 23.3 m-85 -77.29 135.93 38.45 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.313 -0.867 . . . . 73.11 109.755 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' ND2' ' A' ' 100' ' ' ASN . 2.7 pt -114.63 -13.11 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.181 -0.949 . . . . 75.11 110.118 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 17.0 m-80 -149.92 129.35 12.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 73.33 109.747 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -146.19 119.33 8.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.213 -0.93 . . . . 72.52 110.152 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.579 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 29.6 p90 -147.28 161.05 41.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.287 -0.883 . . . . 62.24 110.086 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.1 p -124.04 151.62 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.967 . . . . 61.3 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.27 114.94 27.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 65.5 110.232 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.85 129.32 25.08 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 65.03 109.894 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.503 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 17.2 Cg_endo -63.52 126.85 18.45 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.947 1.499 . . . . 75.53 110.575 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.77 -19.88 22.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.958 -1.257 . . . . 73.11 109.958 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -118.43 169.96 9.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.108 -1.23 . . . . 74.33 110.346 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -85.57 142.89 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 73.11 110.006 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -65.96 143.1 57.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 61.34 110.173 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -113.28 132.96 55.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 53.22 110.061 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 80.5 m-85 -84.1 132.87 34.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 71.25 110.381 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -87.51 -40.25 14.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 63.41 109.962 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 101' ' ' MET . 54.3 mt -109.75 -77.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 72.25 109.983 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 112' ' ' TYR . 3.4 ttpt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.891 . . . . 73.33 110.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.298 0.571 . . . . 70.31 110.139 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -59.9 -51.45 69.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 75.44 110.318 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.83 -31.7 72.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -0.871 . . . . 65.33 110.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 54.12 109.968 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -33.29 58.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.399 -0.813 . . . . 72.34 109.897 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.8 m-20 -56.48 -51.31 68.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 72.45 110.769 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 ptm180 -61.61 -31.59 71.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.056 -1.027 . . . . 74.13 110.413 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . . . -71.42 -48.07 51.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 71.31 109.671 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -68.25 -33.75 62.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.407 -0.808 . . . . 61.31 110.014 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 3.7 m -58.77 -50.48 73.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 64.52 110.313 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.518 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.4 ptm -66.83 -31.76 72.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.846 . . . . 53.12 110.039 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG22 ' HG ' ' A' ' 113' ' ' LEU . 49.8 t -74.17 -37.52 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 72.54 110.78 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 12' ' ' SER . 9.9 pt-20 -78.1 -25.71 47.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 75.42 110.913 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -95.08 -17.43 21.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.956 -1.09 . . . . 72.31 110.482 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 7.3 t-20 -49.16 126.78 13.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 73.2 110.213 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 26.4 pttt -65.91 -36.54 83.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 72.13 110.713 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 9.9 m-20 -59.63 -48.21 82.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 62.51 110.003 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.551 ' CG1' HD21 ' A' ' 113' ' ' LEU . 26.7 mm -62.53 -36.21 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 41.23 109.658 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -53.94 -34.0 58.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 73.44 109.804 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -63.28 -40.13 96.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 64.4 109.827 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 52.1 mt -73.28 -43.42 61.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.386 -0.821 . . . . 74.33 109.61 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 mm? -83.05 -10.09 58.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.573 -0.705 . . . . 73.43 110.175 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . 39.4 mt-30 52.23 34.93 15.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 63.53 110.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' O ' ' CZ ' ' A' ' 21' ' ' ARG . 28.5 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 73.44 110.174 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.296 0.569 . . . . 74.52 110.294 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 76' ' ' SER . 30.7 mt -109.6 146.13 35.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -0.867 . . . . 74.44 110.032 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 137.02 53.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 72.45 110.536 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.834 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -121.51 164.31 17.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.499 -0.751 . . . . 52.33 110.05 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' GLY . 29.2 m-85 -138.46 153.03 48.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.115 -0.99 . . . . 72.0 110.424 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.779 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.489 2.221 0 C-N-CA 120.218 -0.991 . . . . 72.22 110.807 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' HA3' ' A' ' 40' ' ' GLY . 11.3 mm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.24 0.543 . . . . 73.44 110.513 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -99.7 148.55 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.182 -0.949 . . . . 73.11 109.967 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.76 150.49 42.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 64.55 110.498 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.9 p -100.05 145.48 27.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 62.32 110.131 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 126.47 37.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 72.31 110.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 75.14 110.079 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 88' ' ' LYS . 35.1 ttp180 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.279 0.561 . . . . 71.53 110.26 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -84.6 131.67 34.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.944 . . . . 64.41 110.401 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -109.9 142.25 41.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.918 . . . . 55.21 109.914 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 57' ' ' THR . 21.7 m80 -117.38 137.49 52.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.204 -0.935 . . . . 74.23 110.391 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 10.2 m-85 -124.31 135.75 53.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 74.45 110.153 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm -141.6 143.84 33.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.166 -0.959 . . . . 74.35 110.263 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 149.65 38.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.935 . . . . 74.04 110.453 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 1.8 p90 -155.94 165.29 36.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -0.851 . . . . 70.41 110.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 m80 -102.05 157.4 16.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.161 -0.962 . . . . 62.1 109.965 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.826 HG22 ' HB2' ' A' ' 38' ' ' ALA . 75.7 t -124.87 140.63 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.238 -0.914 . . . . 63.02 110.14 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -119.08 122.13 41.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.228 -0.92 . . . . 73.53 110.462 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 36' ' ' LEU . 24.2 p -114.62 175.1 5.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 73.32 110.16 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -79.42 -17.32 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 53.41 110.318 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.81 -24.8 14.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 74.4 110.234 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 -166.57 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.335 -0.853 . . . . 74.32 110.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' VAL . 3.5 mp -125.68 144.93 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.244 -0.91 . . . . 63.42 110.098 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.16 157.99 44.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 44.01 110.513 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -112.82 137.99 50.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 74.41 109.684 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 103' ' ' VAL . 84.1 t -119.39 133.33 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 74.43 111.007 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 10.0 t60 -130.32 135.56 48.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.5 -0.75 . . . . 72.51 109.072 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -141.58 153.0 44.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 70.52 111.32 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' TYR . 1.1 tt0 -126.68 130.38 50.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.737 . . . . 71.12 109.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -123.31 153.33 40.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.014 -1.053 . . . . 44.51 111.067 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 65' ' ' ARG . 4.9 ttpt -119.77 144.38 47.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.515 -0.74 . . . . 75.0 109.819 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.2 pp20? . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 65.11 110.251 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 110.213 -0.726 . . . . 71.52 110.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.85 117.31 21.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.153 -0.967 . . . . 73.31 110.437 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 9' ' ' ARG . 65.4 m-85 -68.45 136.74 53.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 73.35 109.876 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -119.33 -19.94 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 60.04 110.454 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 37.8 m-20 -145.2 129.71 17.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 75.14 110.381 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 120.01 7.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.474 -0.766 . . . . 73.12 110.174 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.7 p90 -146.95 163.18 36.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.22 -0.925 . . . . 75.23 109.961 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 58.7 t -124.69 151.75 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 75.22 110.473 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.55 115.58 30.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 42.31 110.152 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 33.9 t -106.98 128.08 26.78 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 63.21 110.319 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.3 Cg_exo -64.24 126.33 16.87 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.84 1.442 . . . . 55.12 110.367 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.63 13.81 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.971 -1.252 . . . . 63.22 109.971 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 29.0 mt-10 -119.17 161.04 21.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.136 -1.214 . . . . 62.12 109.891 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 145.29 37.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 55.24 110.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -62.31 125.92 25.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.946 . . . . 71.11 110.37 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.541 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.0 t80 -94.35 128.06 40.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 73.14 109.976 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 21.2 p90 -76.41 137.17 39.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.917 . . . . 73.23 110.596 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.626 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -93.91 -37.62 11.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 72.13 109.947 179.632 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 101' ' ' MET . 26.0 mt -111.98 -46.59 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 75.13 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 1.7 ttpt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.296 -0.877 . . . . 73.45 110.208 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.281 0.562 . . . . 73.24 109.818 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -64.9 -48.2 75.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 72.24 109.863 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.35 -31.35 67.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.931 . . . . 73.31 109.86 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.9 -41.54 98.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.393 -0.817 . . . . 74.24 109.767 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -36.4 52.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.886 . . . . 75.24 109.669 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -56.04 -51.89 66.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 72.31 110.483 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 2.5 ptt180 -59.84 -37.94 80.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.129 -0.982 . . . . 74.21 109.897 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -65.25 -47.53 76.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 41.45 109.743 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.755 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -66.65 -30.82 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 73.31 109.78 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.4 -44.92 95.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 75.13 110.253 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.8 ptp -72.54 -30.69 64.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.912 . . . . 50.32 109.964 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.1 t -72.11 -40.73 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.861 . . . . 54.13 110.614 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB2' HD12 ' A' ' 36' ' ' LEU . 2.4 pp20? -78.19 -21.05 50.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 74.33 110.613 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 27.0 pttt -96.76 -15.03 21.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.12 -0.987 . . . . 74.41 110.411 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 120.71 6.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 71.34 110.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -65.5 -26.1 67.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 64.44 110.381 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 42.5 m-20 -72.04 -44.03 64.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.172 -0.955 . . . . 74.44 110.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.3 -35.62 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 72.32 110.268 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' GLN . 17.0 ttm180 -52.13 -35.79 49.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.116 -0.99 . . . . 73.45 110.128 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.09 91.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 72.15 110.081 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD11 ' CG ' ' A' ' 111' ' ' TYR . 32.1 mt -73.1 -46.46 51.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 74.25 109.476 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -88.21 5.64 40.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.621 -0.674 . . . . 72.52 110.125 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 21' ' ' ARG . 40.1 mt-30 48.74 30.45 2.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.127 -0.983 . . . . 73.32 109.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 36' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.29 -0.881 . . . . 65.23 110.357 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.391 0.615 . . . . 54.03 110.248 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.785 HD11 ' SG ' ' A' ' 26' ' ' CYS . 27.9 mt -109.77 146.92 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.828 . . . . 74.1 110.236 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 141.51 46.96 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.276 -0.89 . . . . 72.1 109.736 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -144.8 158.48 43.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 70.45 110.9 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 9.1 p90 -144.04 157.34 44.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 63.44 109.759 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' HA2' ' CB ' ' A' ' 72' ' ' PHE . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 109.787 -1.325 . . . . 72.34 109.787 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ILE . 24.7 mm . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.279 0.561 . . . . 64.12 110.06 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.0 t -97.36 142.29 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 70.11 110.2 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 m -121.41 145.83 47.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.211 -0.93 . . . . 73.05 110.118 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 33.8 p -99.93 145.66 27.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.316 -0.865 . . . . 64.22 110.342 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -133.8 126.37 30.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.304 -0.873 . . . . 73.14 110.138 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.871 . . . . 75.22 110.042 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.318 0.58 . . . . 75.34 110.035 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 2.3 m -82.23 131.13 35.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 61.15 110.598 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -113.75 142.44 46.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 70.41 109.731 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -120.08 142.71 48.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.087 -1.008 . . . . 73.42 110.612 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 72.6 m-85 -126.38 125.87 42.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 65.45 109.96 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.496 ' CE ' ' HB2' ' A' ' 7' ' ' PHE . 2.7 ttt -134.53 137.88 44.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.218 -0.926 . . . . 75.31 110.45 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' ND1' ' A' ' 84' ' ' HIS . 3.9 mtt180 -138.41 142.78 39.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.882 . . . . 74.25 109.974 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.633 ' HE1' HG23 ' A' ' 11' ' ' VAL . 19.7 p90 -152.62 155.18 36.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 65.42 110.403 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.668 ' ND1' HD13 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -101.01 160.02 14.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.216 -0.927 . . . . 65.4 110.273 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.1 t -129.18 148.95 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.839 . . . . 72.33 109.895 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG2' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -127.68 117.82 22.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 74.13 110.736 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.581 ' OG ' HD22 ' A' ' 36' ' ' LEU . 2.3 t -114.13 175.24 5.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.378 -0.827 . . . . 65.14 110.203 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HE2' ' HE2' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -77.23 -15.91 59.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.301 -0.874 . . . . 75.24 110.052 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -93.29 -28.56 16.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.304 -0.873 . . . . 64.21 109.952 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 173.1 -174.58 0.05 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 74.42 110.05 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 mp -115.24 142.44 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 74.42 110.25 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.1 157.98 40.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 75.24 110.403 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.668 HD13 ' ND1' ' A' ' 73' ' ' HIS . 12.2 tp -113.99 133.05 55.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 71.23 109.465 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.542 ' CG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.4 t -120.76 126.32 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 72.23 111.146 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.512 ' ND1' ' HG2' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -124.22 128.34 49.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.824 . . . . 73.4 109.222 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 4.2 pp -128.66 148.05 50.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 60.23 111.361 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 3.2 mt-10 -119.46 131.06 55.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 73.22 109.221 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -121.01 153.12 37.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 75.21 111.2 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -129.05 144.25 51.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.696 -0.628 . . . . 61.43 109.381 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 7.4 pt-20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 61.05 110.449 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 N--CA 1.484 0.948 0 N-CA-C 110.156 -0.748 . . . . 65.41 110.156 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -120.39 126.58 50.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.115 -0.991 . . . . 63.32 110.344 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 85' ' ' LEU . 22.8 m-85 -60.18 139.07 57.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 65.34 110.047 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.48 -23.06 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 64.55 110.016 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -147.54 129.59 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 70.23 109.733 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.929 ' HB2' HD12 ' A' ' 114' ' ' ILE . 15.6 ttt -148.81 131.91 16.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.057 -1.027 . . . . 73.33 110.985 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 24.4 p90 -148.54 155.3 40.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 72.52 109.903 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 p -120.87 142.24 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.043 -1.036 . . . . 73.54 110.469 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.1 114.97 29.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 72.23 109.891 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.74 130.66 22.68 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.226 -0.921 . . . . 74.22 109.979 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -67.18 126.52 15.2 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 123.823 1.433 . . . . 73.22 110.484 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.85 -18.7 24.96 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.178 -1.169 . . . . 70.33 110.178 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.78 163.31 15.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.046 -1.267 . . . . 53.32 110.485 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.75 127.55 32.63 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.83 . . . . 75.41 110.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 138.73 29.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.179 -0.951 . . . . 72.51 110.039 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.3 t80 -117.86 129.07 55.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.268 -0.895 . . . . 73.04 110.262 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 16.1 p90 -82.35 141.37 32.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.9 . . . . 73.25 110.239 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.72 -27.56 12.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 64.51 110.236 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.929 HD12 ' HB2' ' A' ' 101' ' ' MET . 42.3 mt -111.75 -47.42 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 74.45 110.544 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 72.1 110.25 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' OD2' ' O ' ' A' ' 54' ' ' ILE . 1.7 p30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.27 0.557 . . . . 52.15 110.231 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.1 m -54.06 -51.96 62.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 50.43 110.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -55.76 -30.46 61.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 63.24 109.91 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -40.48 96.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.869 . . . . 72.44 110.232 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.67 -36.68 60.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -0.848 . . . . 71.31 109.836 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.14 -45.85 75.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.857 . . . . 63.31 110.432 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.7 ptm180 -74.33 -35.46 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.924 . . . . 70.41 110.484 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -65.1 -41.19 95.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 71.0 110.219 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.883 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -71.29 -33.92 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.221 -0.925 . . . . 75.41 110.126 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -52.63 -49.09 65.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.314 -0.866 . . . . 64.21 110.289 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.5 ppp? -71.72 -29.57 64.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.291 -0.881 . . . . 74.34 110.083 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 83' ' ' VAL . 19.8 t -74.67 -44.05 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 64.32 110.488 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -77.53 -22.64 50.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.16 -0.963 . . . . 74.44 110.346 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -97.24 -14.84 21.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 75.44 110.107 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.92 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.1 t30 -46.82 121.68 3.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 61.11 110.392 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.54 -31.1 72.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.953 . . . . 54.53 110.099 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.68 -42.16 78.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.5 110.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.57 -33.95 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 75.52 110.201 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.5 mtp-105 -55.06 -36.79 65.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 71.01 110.184 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -36.56 84.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 71.1 110.02 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -73.66 -42.57 61.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.208 -0.933 . . . . 74.15 109.75 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 2.4 mm? -78.98 -10.0 59.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 63.42 110.507 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' CYS . 26.0 mt-30 55.5 33.55 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -0.954 . . . . 74.13 109.682 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' LEU . 98.9 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.367 -0.833 . . . . 75.22 110.608 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.183 0.516 . . . . 73.01 109.702 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 76' ' ' SER . 72.6 mt -109.56 143.12 39.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.098 -1.001 . . . . 63.24 110.926 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.88 129.56 38.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.429 -0.794 . . . . 41.2 109.698 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.883 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -120.49 163.86 17.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 74.11 110.518 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 6.2 p90 -159.36 171.29 20.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.301 -0.875 . . . . 71.22 109.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.487 2.081 0 N-CA-C 109.245 -1.542 . . . . 62.25 109.245 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' ' OD2' ' A' ' 3' ' ' ASP . 19.8 mm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.509 -0.552 . . . . 73.1 109.509 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.89 143.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.257 -0.902 . . . . 64.45 110.154 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -123.98 151.84 43.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.457 -0.777 . . . . 62.43 110.608 -179.304 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -100.02 147.36 25.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 71.54 110.309 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 127.27 36.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 72.51 110.047 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 74.23 110.185 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.276 0.56 . . . . 74.44 110.172 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 23.0 m -93.64 141.04 28.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.289 -0.882 . . . . 72.52 110.304 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -105.56 146.2 29.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 71.23 109.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 56' ' ' SER . 63.7 t-80 -117.2 136.13 53.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 72.45 110.286 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 74.5 m-85 -125.95 119.65 28.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 74.12 110.034 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.445 ' HE2' HG21 ' A' ' 54' ' ' ILE . 12.4 ttt -137.77 140.51 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.175 -0.953 . . . . 64.25 110.158 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -149.88 149.47 30.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 72.43 110.714 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.625 ' CE2' HG23 ' A' ' 11' ' ' VAL . 7.2 p90 -150.14 156.97 42.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.385 -0.822 . . . . 71.44 109.819 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 17.5 m80 -92.3 154.6 18.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 74.54 110.495 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.701 HG22 ' HB2' ' A' ' 38' ' ' ALA . 19.2 t -126.62 131.21 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 72.33 109.85 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.02 123.95 47.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 63.42 110.355 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 36' ' ' LEU . 1.2 t -109.21 170.38 8.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 42.45 110.097 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -76.28 -16.43 59.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 62.51 110.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -29.17 11.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 54.44 110.34 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -170.09 -164.26 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.013 . . . . 75.33 110.478 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.05 141.75 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 64.24 109.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.88 157.23 45.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 42.54 110.44 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' NE2' ' A' ' 84' ' ' HIS . 0.5 OUTLIER -114.91 137.95 51.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.39 -0.819 . . . . 52.22 109.831 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 14' ' ' VAL . 44.8 t -114.88 130.15 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.154 -0.966 . . . . 74.33 110.772 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.625 ' NE2' HD22 ' A' ' 82' ' ' LEU . 26.2 m-70 -128.99 124.3 34.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 72.42 109.491 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -130.62 150.15 51.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.086 -1.009 . . . . 61.04 111.051 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG3' ' CD1' ' A' ' 69' ' ' TYR . 1.2 mp0 -121.46 136.51 54.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.536 -0.727 . . . . 72.5 109.362 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.776 ' HB2' ' HD2' ' A' ' 98' ' ' PHE . . . -135.82 150.92 49.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.886 -1.134 . . . . 65.02 111.1 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 144.0 48.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.565 -0.71 . . . . 55.43 109.394 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.095 -1.003 . . . . 73.52 110.979 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 N--CA 1.483 0.894 0 N-CA-C 110.257 -0.709 . . . . 74.32 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.07 128.17 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.927 . . . . 73.15 110.183 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.776 ' HD2' ' HB2' ' A' ' 87' ' ' ALA . 25.7 m-85 -59.03 138.35 57.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 75.42 110.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 99' ' ' ILE . 1.3 pt -118.97 -20.78 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 53.13 109.817 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 28.4 m-20 -141.6 130.0 22.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.356 -0.84 . . . . 75.13 109.883 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.803 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 118.53 6.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 61.45 110.621 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 44.8 p90 -147.43 158.28 43.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 74.43 109.863 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 28.5 t -122.49 150.85 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.089 -1.007 . . . . 74.11 110.5 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 13.9 t0 -112.65 118.52 35.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.886 . . . . 74.24 109.936 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 40.2 t -110.1 124.93 32.18 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 74.21 110.267 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 17.1 Cg_exo -63.13 127.2 19.61 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.891 1.469 . . . . 63.34 110.424 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.65 -20.3 24.26 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.744 -1.342 . . . . 74.32 109.744 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.444 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 56.5 mm-40 -118.77 156.33 29.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -1.149 . . . . 61.33 110.053 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 133.1 42.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.973 . . . . 72.31 109.927 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 10.2 ptp180 -61.07 143.54 55.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 72.41 110.335 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -120.42 133.24 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.397 -0.814 . . . . 73.12 110.357 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.5 m-85 -79.72 147.07 32.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 73.12 110.28 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.92 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.67 -41.02 6.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.246 -0.909 . . . . 64.43 110.493 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 101' ' ' MET . 61.1 mt -107.46 -68.4 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 73.32 110.417 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 114' ' ' ILE . 4.6 pttp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.497 -0.752 . . . . 74.45 110.805 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 1.9 p30 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.299 0.571 . . . . 52.15 110.364 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -56.65 -45.98 81.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.218 -0.926 . . . . 50.43 110.355 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.05 -32.65 71.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.173 -0.954 . . . . 63.24 110.493 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.27 -40.8 95.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.153 -0.967 . . . . 72.44 110.199 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -35.76 57.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 71.31 109.761 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -56.86 -51.72 67.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 63.31 110.356 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.9 ptm180 -66.41 -32.0 73.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 70.41 109.948 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -67.56 -50.96 56.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.419 -0.8 . . . . 71.0 109.494 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.999 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -65.19 -34.69 72.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 75.41 109.857 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 21.0 t -62.56 -46.94 86.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.387 -0.821 . . . . 64.21 110.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.556 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.21 -29.83 64.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -0.969 . . . . 74.34 110.02 179.737 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 10' ' ' ALA . 72.3 t -72.12 -40.7 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 64.32 110.555 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 1.016 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.3 pp20? -77.08 -19.97 56.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.003 . . . . 74.44 110.363 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -100.07 -16.12 17.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.139 -0.976 . . . . 75.44 110.401 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' MET . 1.1 t-20 -53.95 121.68 8.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 61.11 110.207 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -42.55 67.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.204 -0.935 . . . . 54.53 110.181 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 9.3 m-20 -61.65 -43.84 98.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 73.5 110.197 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 111' ' ' TYR . 51.5 mm -74.67 -35.63 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 75.52 109.994 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -50.95 -41.4 59.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 71.01 109.751 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.5 70.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.852 . . . . 71.1 109.95 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 19' ' ' ASP . 11.5 mt -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.301 -0.874 . . . . 74.15 109.8 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 1.8 mm? -84.77 -10.03 57.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.344 -0.848 . . . . 63.42 110.184 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 53.66 41.9 31.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.27 -0.894 . . . . 74.13 110.014 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.33 -0.856 . . . . 75.22 110.27 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.48 0.657 . . . . 73.01 110.817 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.016 HD12 ' HB2' ' A' ' 15' ' ' GLU . 25.0 mt -109.73 147.34 33.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.44 -0.787 . . . . 63.24 109.336 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 131.15 55.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 41.2 111.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.999 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -137.8 151.87 48.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.731 -0.606 . . . . 74.11 109.569 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.3 p90 -157.29 167.22 30.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.024 -1.048 . . . . 71.22 110.431 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 109.194 -1.563 . . . . 62.25 109.194 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.701 HG21 ' CE ' ' A' ' 70' ' ' MET . 25.8 mm . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.382 0.61 . . . . 73.1 110.576 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.21 151.99 6.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.363 -0.836 . . . . 64.45 109.843 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 150.46 50.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 62.43 110.758 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.1 p -101.37 146.05 28.1 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.355 -0.841 . . . . 71.54 109.67 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 6.7 ptpt -129.22 124.65 35.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 72.51 110.722 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 74.23 109.558 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.177 0.513 . . . . 74.44 110.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 7.3 m -97.8 129.51 44.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 72.52 110.645 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -105.93 136.72 45.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 71.23 109.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' A' ' 66' ' ' THR . 15.6 m170 -118.2 142.51 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 72.45 110.787 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' CE1' ' OE2' ' A' ' 86' ' ' GLU . 70.1 m-85 -124.95 121.29 34.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.337 -0.852 . . . . 74.12 109.693 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.701 ' CE ' HG21 ' A' ' 54' ' ' ILE . 2.6 ttt -135.07 144.16 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.093 -1.004 . . . . 64.25 110.609 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.8 143.62 25.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.353 -0.842 . . . . 72.43 110.156 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 11' ' ' VAL . 10.1 p90 -147.62 152.47 37.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 71.44 110.097 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.06 155.76 18.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 74.54 110.451 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 38' ' ' ALA . 10.6 t -128.92 130.83 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -0.867 . . . . 72.33 109.988 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.94 128.8 54.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.174 -0.954 . . . . 63.42 110.358 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.521 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.6 172.14 7.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 42.45 110.092 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -13.69 59.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 62.51 110.213 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -106.76 -28.83 9.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.302 -0.874 . . . . 54.44 110.534 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -170.75 -168.19 0.65 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 75.33 110.547 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.67 144.5 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.312 -0.868 . . . . 64.24 109.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.02 157.82 43.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 42.54 110.568 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -114.9 135.96 53.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.38 -0.825 . . . . 52.22 109.484 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.61 ' CG1' ' HE2' ' A' ' 101' ' ' MET . 41.6 t -118.4 127.22 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 74.33 111.026 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 1.3 m-70 -123.21 132.88 54.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 72.42 109.598 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.6 pp -141.74 153.89 44.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.98 -1.075 . . . . 61.04 111.107 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' OE1' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -130.1 126.87 38.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.484 -0.76 . . . . 72.5 109.311 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -111.17 150.64 29.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 65.02 110.92 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 99' ' ' ILE . 16.3 ttpt -134.66 138.56 44.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.582 -0.699 . . . . 55.43 109.612 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 73.52 110.299 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.482 0.821 0 N-CA-C 110.175 -0.74 . . . . 74.32 110.175 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.76 125.51 54.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 73.15 110.429 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 85' ' ' LEU . 73.7 m-85 -59.53 134.67 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 75.42 109.76 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.5 pt -121.77 -15.68 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.183 -0.948 . . . . 53.13 110.56 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 56.5 m-80 -155.89 131.7 9.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 75.13 110.483 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.61 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.63 127.22 12.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 61.45 110.325 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 21.6 p90 -147.23 149.69 33.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.226 -0.921 . . . . 74.43 110.372 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 82' ' ' LEU . 9.1 p -120.94 150.04 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.203 -0.936 . . . . 74.11 110.386 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.44 117.01 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.356 -0.84 . . . . 74.24 110.224 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.4 p -116.19 131.21 23.9 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 74.21 110.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 14.1 Cg_exo -64.5 132.38 33.1 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.89 1.468 . . . . 63.34 110.742 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.22 21.51 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.105 -1.198 . . . . 74.32 110.105 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 105' ' ' VAL . 2.3 mt-10 -118.88 164.37 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.073 -1.251 . . . . 61.33 110.373 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.7 129.57 34.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 72.31 110.257 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -52.63 139.83 24.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 72.41 110.253 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 11.8 t80 -117.6 126.32 52.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.359 -0.838 . . . . 73.12 109.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 32.9 m-85 -76.88 137.39 39.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 73.12 110.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -92.35 -37.74 12.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 64.43 110.093 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 54.8 mt -116.87 -51.84 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 73.32 110.193 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 74.45 110.154 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 4' ' ' THR . 1.7 p30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.12 0.486 . . . . 54.31 110.1 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.506 ' N ' ' OD2' ' A' ' 3' ' ' ASP . 19.5 m -58.62 -44.42 89.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 65.32 109.869 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.76 -35.26 78.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 65.14 109.721 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 68.8 mt -61.58 -38.8 88.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 63.34 109.974 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.07 -35.25 64.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.268 -0.895 . . . . 64.43 109.479 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' SER . 7.1 m-20 -62.43 -51.58 66.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 70.2 110.176 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 10.0 ptm180 -68.18 -41.65 81.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.164 -0.96 . . . . 73.32 109.914 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -59.59 -49.24 78.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 73.22 109.822 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.56 -36.52 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.251 -0.906 . . . . 72.2 109.986 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -57.32 -51.05 70.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 75.01 109.929 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.532 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 6.3 ptt? -65.32 -31.73 73.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.276 -0.89 . . . . 64.54 109.835 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 10' ' ' ALA . 75.7 t -73.97 -35.67 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 64.32 110.442 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HB2' HD12 ' A' ' 36' ' ' LEU . 8.7 pt-20 -80.65 -21.04 41.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 71.4 110.678 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 6.9 ptmm? -98.57 -17.02 18.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 73.31 110.406 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.623 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.0 t30 -47.84 119.48 2.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 61.4 110.022 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.7 pttm -58.01 -38.11 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 75.1 110.185 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.49 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 21.5 m-20 -57.51 -49.53 76.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.915 . . . . 71.22 109.531 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 111' ' ' TYR . 46.8 mm -67.49 -33.94 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.891 . . . . 71.41 109.433 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 1.7 ttt85 -52.65 -35.52 55.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.448 -0.782 . . . . 72.02 109.457 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -64.53 -40.35 95.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 72.31 109.763 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 111' ' ' TYR . 58.5 mt -71.97 -42.31 66.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 62.41 109.319 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.48 -10.16 59.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.521 -0.737 . . . . 53.41 110.184 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 15.7 mt-30 51.29 30.09 5.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 72.33 109.815 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' HB3' HD12 ' A' ' 24' ' ' LEU . 27.3 p . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.35 -0.844 . . . . 72.55 110.493 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.464 0.649 . . . . 73.52 110.6 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.5 mt -109.66 147.73 32.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.485 -0.759 . . . . 61.21 109.946 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -113.37 133.87 54.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.39 -0.819 . . . . 62.53 110.999 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -140.09 136.23 33.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.576 -0.703 . . . . 61.54 109.591 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.6 p90 -135.28 165.2 25.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.121 -0.987 . . . . 64.34 110.639 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.557 -1.417 . . . . 54.4 109.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 21.8 mm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.127 0.489 . . . . 73.25 110.332 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -101.38 151.4 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 62.1 110.095 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.3 p -129.19 151.45 49.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 64.4 110.462 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 29.1 p -105.82 146.55 29.75 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.49 -0.756 . . . . 75.21 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -135.21 127.11 29.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.03 110.407 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 70.31 109.923 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' CD ' ' NE2' ' A' ' 67' ' ' HIS . 11.2 ttm180 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.246 0.546 . . . . 71.13 110.133 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m -93.9 134.78 35.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 64.12 110.415 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.44 ' NE2' ' CD ' ' A' ' 65' ' ' ARG . 36.1 m80 -109.02 149.05 29.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 72.4 109.885 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -120.77 137.94 54.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.214 -0.928 . . . . 72.03 110.731 -179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 48.5 m-85 -127.18 125.86 41.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 74.31 109.592 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.467 ' C ' ' HG3' ' A' ' 71' ' ' ARG . 5.6 ttm -141.24 147.85 38.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.002 . . . . 63.32 110.762 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' NE ' ' CE1' ' A' ' 84' ' ' HIS . 48.2 mtt180 -147.64 144.36 28.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.401 -0.812 . . . . 74.52 109.899 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -148.81 157.15 43.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -0.955 . . . . 73.42 109.94 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -98.5 150.11 22.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -0.883 . . . . 75.43 109.731 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG13 ' HB2' ' A' ' 38' ' ' ALA . 13.8 t -124.22 138.39 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 62.42 110.46 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.66 119.7 34.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.267 -0.895 . . . . 60.24 110.243 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 53.5 p -111.15 172.99 6.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.915 . . . . 74.54 110.29 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.44 -14.37 60.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 72.32 110.276 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.65 -27.83 12.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -0.882 . . . . 50.31 110.389 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -173.91 -159.65 0.1 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.254 -0.904 . . . . 73.5 110.254 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 74' ' ' VAL . 4.8 mt -132.41 142.49 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 60.14 109.952 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -136.89 154.68 50.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 43.34 110.758 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 8.7 tt -115.1 138.16 51.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 71.53 109.616 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HG22 ' A' ' 103' ' ' VAL . 12.3 t -104.92 138.01 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.092 -1.005 . . . . 74.32 111.213 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.605 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.79 117.89 20.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.547 -0.72 . . . . 63.32 109.547 179.289 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.6 pp -132.12 153.38 50.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.977 -1.077 . . . . 74.14 110.975 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' O ' HG12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -132.05 119.16 20.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.408 -0.807 . . . . 73.32 109.512 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -118.97 148.82 42.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.948 . . . . 74.4 110.549 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' ' OD2' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -134.47 143.09 47.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.38 -0.825 . . . . 62.22 110.163 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 74.11 110.098 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo . . . . . 0 N--CA 1.483 0.87 0 N-CA-C 110.126 -0.759 . . . . 75.04 110.126 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.0 p-10 -112.12 141.93 45.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -0.937 . . . . 73.23 109.975 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -72.1 131.54 42.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 61.25 110.473 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 86' ' ' GLU . 2.6 pt -114.34 -19.45 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.817 . . . . 55.31 109.549 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 31.3 m-20 -147.43 129.9 15.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 75.42 109.813 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -147.54 117.47 7.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.931 . . . . 70.14 110.203 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 7.6 p90 -145.23 153.36 41.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.215 -0.928 . . . . 73.4 110.272 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 82' ' ' LEU . 74.4 t -122.88 148.91 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 64.45 110.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 125.08 53.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.96 . . . . 74.04 110.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 t -123.55 129.6 24.8 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.255 -0.903 . . . . 73.34 110.174 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 20.6 Cg_endo -65.89 127.72 18.36 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.885 1.466 . . . . 72.22 110.211 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.3 -19.35 39.98 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.312 -1.515 . . . . 64.02 109.312 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -115.2 169.98 8.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -1.12 . . . . 73.23 110.049 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -93.27 143.64 26.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 72.24 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.8 133.77 55.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.216 -0.927 . . . . 74.52 110.243 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -118.39 128.45 54.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 74.24 109.975 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 46.6 m-85 -82.08 139.78 34.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 73.33 110.657 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.623 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -98.02 -27.46 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.323 -0.861 . . . . 74.21 109.81 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 115' ' ' LYS . 9.9 mt -123.01 -75.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.375 -0.828 . . . . 65.21 110.097 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 71.4 110.181 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 86.8 m-20 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.123 0.487 . . . . 65.3 110.249 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -55.4 -47.38 75.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 71.33 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -30.56 69.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 61.44 110.076 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -62.29 -40.34 95.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 73.21 110.003 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.18 -33.34 61.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 74.15 109.801 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.47 -44.1 97.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 73.43 110.587 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -67.21 -34.96 78.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 74.44 110.138 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -70.41 -44.48 67.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.174 -0.954 . . . . 72.34 109.768 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.68 -32.38 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.355 -0.84 . . . . 63.11 109.877 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 5.3 m -59.42 -46.26 89.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 64.42 110.162 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -71.34 -29.72 65.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.894 . . . . 53.41 109.987 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' N ' ' HG3' ' A' ' 13' ' ' MET . 31.1 t -74.03 -46.56 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.966 . . . . 55.25 110.417 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 12' ' ' SER . 12.8 pt-20 -74.22 -17.54 60.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.219 -0.926 . . . . 74.22 110.447 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -102.66 -15.48 16.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.153 -0.967 . . . . 72.33 109.991 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' OD1' HD21 ' A' ' 113' ' ' LEU . 1.3 t30 -44.3 118.54 1.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -0.804 . . . . 73.02 110.203 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -30.92 69.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.163 -0.961 . . . . 74.11 110.162 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.57 -48.35 60.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 71.52 109.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CG1' HD11 ' A' ' 113' ' ' LEU . 25.1 mm -68.99 -31.97 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.199 -0.938 . . . . 71.14 109.717 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.517 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -49.9 -33.17 16.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 74.23 109.741 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -37.2 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 74.13 109.685 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.25 -43.6 60.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.329 -0.857 . . . . 71.44 110.173 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 76' ' ' SER . 12.6 tp -83.74 -10.18 58.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.487 -0.758 . . . . 72.22 110.405 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB2' ' HD2' ' A' ' 78' ' ' LYS . 33.4 mt-30 51.4 31.83 7.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.191 -0.943 . . . . 65.22 110.375 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 11.6 p . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 64.13 109.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 63.44 109.386 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 9.8 mt -106.8 147.01 30.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 72.23 110.953 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -120.01 138.08 53.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 71.51 110.155 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.81 163.74 28.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.419 -0.801 . . . . 71.14 110.355 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 2.7 p90 -149.92 154.22 37.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.35 -0.843 . . . . 72.05 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.953 -1.259 . . . . 73.35 109.953 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.511 0.672 . . . . 73.43 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.96 153.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.493 -0.754 . . . . 75.14 110.708 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.63 144.07 49.84 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 72.0 110.026 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.2 p -101.1 140.06 35.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 62.44 110.493 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -120.36 125.55 48.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.296 -0.878 . . . . 72.5 110.363 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 72.32 109.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB3' ' NE2' ' A' ' 67' ' ' HIS . 2.7 tpp85 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.231 0.539 . . . . 53.35 110.102 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 83.5 m -80.12 124.24 28.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 64.14 110.435 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 65' ' ' ARG . 33.2 m170 -107.44 143.08 36.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 75.2 109.846 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 136.18 54.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.168 -0.958 . . . . 54.54 110.718 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.3 m-85 -122.03 121.09 36.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.389 -0.819 . . . . 74.43 109.946 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.6 ttm -138.05 134.09 34.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -0.919 . . . . 63.3 110.338 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -144.78 144.65 31.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 70.44 110.146 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.409 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -149.13 152.1 35.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.24 -0.913 . . . . 64.22 110.095 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.687 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 7.2 m80 -92.64 159.38 15.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 73.02 110.395 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.2 t -126.34 137.73 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.366 -0.834 . . . . 64.44 110.1 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 117.85 30.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 52.21 110.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.479 ' HB2' HD21 ' A' ' 24' ' ' LEU . 8.5 t -111.51 172.84 6.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -0.843 . . . . 72.53 110.223 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -15.44 58.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 75.33 110.223 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HD2' ' HB2' ' A' ' 25' ' ' GLN . 7.7 mttt -100.06 -27.59 13.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.872 . . . . 70.25 110.529 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 175.18 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.113 -0.992 . . . . 72.52 110.478 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.81 142.7 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 55.41 110.136 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.44 156.04 49.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 32.35 110.386 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.736 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.1 tt -113.24 136.9 52.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 54.25 110.014 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.2 t -116.02 132.45 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.21 -0.931 . . . . 75.25 110.649 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 43.5 t60 -130.05 131.15 45.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.4 -0.813 . . . . 74.1 109.558 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.692 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.7 pp -140.14 149.71 43.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.981 -1.075 . . . . 72.14 111.0 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -121.52 137.65 54.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.452 -0.78 . . . . 71.14 109.35 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.48 141.41 49.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.049 -1.032 . . . . 65.31 110.956 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.44 143.87 47.8 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.361 -0.837 . . . . 65.32 109.613 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 70.13 110.234 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 N--CA 1.482 0.808 0 N-CA-C 110.466 -0.628 . . . . 73.12 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.3 155.05 51.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 72.44 110.057 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.692 ' CD2' HD13 ' A' ' 85' ' ' LEU . 40.3 m-85 -80.93 139.15 36.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.237 -0.914 . . . . 71.04 110.514 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 88' ' ' LYS . 2.7 pt -118.12 -18.44 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.257 -0.902 . . . . 72.11 109.633 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -143.69 129.32 19.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.839 . . . . 63.41 109.739 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.548 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.6 121.71 8.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 71.41 110.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 31.0 p90 -147.8 156.94 43.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 64.35 110.093 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 82' ' ' LEU . 29.0 t -125.97 147.98 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 72.45 110.336 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.44 115.28 29.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 72.01 110.26 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.542 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 6.4 p -109.17 132.82 21.0 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 44.35 110.012 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -69.32 131.32 21.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 63.51 111.301 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.29 -21.19 13.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.346 -1.102 . . . . 54.24 110.346 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.542 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.5 mt-10 -119.87 158.91 25.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.956 -1.32 . . . . 73.42 110.431 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 149.4 46.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.181 -0.949 . . . . 75.2 109.795 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -70.06 136.21 50.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.234 -0.916 . . . . 73.41 110.38 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.79 130.58 56.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.345 -0.847 . . . . 71.23 109.911 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.55 ' CD2' ' CB ' ' A' ' 115' ' ' LYS . 20.5 p90 -85.26 143.99 28.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 75.33 110.34 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.544 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -95.89 -38.58 10.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 50.21 110.169 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 101' ' ' MET . 33.0 mt -106.85 -71.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 74.23 110.244 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' CB ' ' CD2' ' A' ' 112' ' ' TYR . 10.8 tttm . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 73.33 110.248 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.699 ' HA ' HD12 ' A' ' 6' ' ' LEU . 12.6 m-20 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.27 0.557 . . . . 74.1 110.032 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 m -58.87 -45.01 91.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 74.14 109.643 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.1 mt-30 -70.52 -31.05 67.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 73.45 109.825 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 3' ' ' ASP . 8.3 mt -53.87 -42.83 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 74.41 109.508 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -34.8 58.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.427 -0.796 . . . . 74.44 109.251 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.527 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 37.0 m-20 -62.28 -47.28 85.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.429 -0.795 . . . . 71.31 110.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 11.6 ptm180 -61.51 -32.3 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 73.21 110.022 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.84 -45.07 53.4 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.358 -0.839 . . . . 73.04 109.522 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.85 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.41 -30.65 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.783 . . . . 74.51 109.675 179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 t -60.13 -50.34 74.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.456 -0.778 . . . . 71.14 110.477 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 5.8 ptt? -67.41 -31.3 71.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.956 . . . . 60.01 109.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.501 HG21 ' HE3' ' A' ' 101' ' ' MET . 39.1 t -73.0 -50.83 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 72.01 110.821 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.09 -29.23 68.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.189 -0.944 . . . . 71.35 110.815 -179.286 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 16.3 ptpt -86.84 -14.41 42.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.083 . . . . 61.11 109.854 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.735 ' ND2' HD11 ' A' ' 113' ' ' LEU . 0.7 OUTLIER -53.78 108.59 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 73.24 110.182 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -57.36 -34.22 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 54.13 110.008 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.523 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 35.3 m-20 -60.66 -49.23 78.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 72.13 109.734 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.04 -37.13 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 61.42 109.84 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -53.16 -34.11 55.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 73.02 109.481 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.1 p -58.43 -39.2 79.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 72.13 109.421 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.95 -42.67 72.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.631 -0.668 . . . . 73.1 109.314 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -79.35 -10.44 59.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 73.34 110.107 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' ARG . 12.7 mt-30 48.39 34.8 5.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 74.31 109.916 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 71.21 110.575 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.241 0.543 . . . . 74.35 109.844 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.791 HD22 ' OG ' ' A' ' 76' ' ' SER . 23.3 mt -109.44 145.69 35.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 64.41 110.529 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -115.19 131.05 57.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 73.43 109.988 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.85 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.45 158.77 30.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 71.22 110.29 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 19.0 m-85 -134.7 158.36 44.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 63.15 110.311 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.752 -1.339 . . . . 73.31 109.752 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.56 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 15.7 mm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.217 0.532 . . . . 43.25 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.1 153.27 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 54.43 110.265 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 p -120.2 148.39 43.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -0.883 . . . . 75.53 110.343 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.6 p -101.24 136.42 41.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.351 -0.843 . . . . 55.5 110.045 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -126.77 125.26 41.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.087 -1.008 . . . . 72.1 110.746 -179.749 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 75.31 109.539 179.499 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.115 0.483 . . . . 71.12 109.975 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.409 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 99.0 m -100.8 126.23 47.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.93 . . . . 72.21 110.565 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -105.77 143.56 33.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 72.34 109.773 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -119.16 137.23 53.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 75.02 110.812 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 86' ' ' GLU . 12.0 m-85 -124.48 120.25 31.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 74.45 109.601 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 140.56 49.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.063 -1.023 . . . . 63.24 110.718 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -149.14 143.01 25.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.368 -0.833 . . . . 73.45 110.017 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 11' ' ' VAL . 10.2 p90 -147.57 169.65 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.223 -0.923 . . . . 72.2 110.311 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.669 ' CE1' HD21 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -100.94 146.41 27.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 74.22 110.37 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 38' ' ' ALA . 5.0 t -124.74 130.4 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.853 . . . . 70.12 109.385 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.26 120.05 36.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 73.43 110.735 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.791 ' OG ' HD22 ' A' ' 36' ' ' LEU . 1.6 m -117.01 165.81 12.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.369 -0.832 . . . . 62.42 109.897 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -13.53 58.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.14 110.16 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -97.27 -30.14 13.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 71.5 110.556 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 10.9 ptpt 174.58 169.63 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.247 -0.908 . . . . 72.14 110.295 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.24 134.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 71.4 109.438 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.98 157.6 27.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.164 -0.96 . . . . 54.32 110.716 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -115.97 120.68 39.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.471 -0.768 . . . . 70.12 109.276 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 HG23 ' A' ' 103' ' ' VAL . 18.2 t -110.81 130.89 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 64.44 111.368 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 4.6 t60 -130.69 129.65 42.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.547 -0.72 . . . . 64.24 109.233 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.1 pp -131.79 153.29 50.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.022 -1.049 . . . . 62.11 110.971 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.552 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -135.45 129.84 33.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.515 -0.741 . . . . 44.43 109.656 179.554 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.52 153.99 46.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.159 -0.963 . . . . 74.13 110.578 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' CD ' HD13 ' A' ' 99' ' ' ILE . 8.7 ptmt -132.75 143.17 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -0.812 . . . . 75.42 109.873 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 20.4 pt-20 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.219 -0.926 . . . . 75.1 110.357 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.457 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 37.9 Cg_endo . . . . . 0 N--CA 1.482 0.811 0 N-CA-C 110.426 -0.644 . . . . 74.42 110.426 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 0.9 OUTLIER -116.89 144.78 44.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 75.21 110.121 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.835 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 55.8 m-85 -79.09 139.07 38.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 75.32 110.213 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 88' ' ' LYS . 2.6 pt -119.32 -18.99 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.309 -0.869 . . . . 70.42 110.495 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.94 128.23 21.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 65.21 110.25 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.582 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -150.46 123.01 8.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 73.41 110.347 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 15.0 p90 -147.47 156.77 43.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.079 -1.013 . . . . 71.43 110.525 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 83' ' ' VAL . 7.9 p -119.27 140.67 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 72.41 110.224 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.47 124.09 48.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 71.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.29 126.66 28.01 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.315 -0.866 . . . . 73.54 110.029 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.7 126.91 16.15 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.849 1.447 . . . . 71.23 110.491 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 -20.51 21.1 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.644 -1.382 . . . . 45.32 109.644 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -118.98 170.32 9.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -1.141 . . . . 70.44 109.947 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.08 138.55 33.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.937 . . . . 75.42 110.286 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.5 ptm180 -66.46 143.49 57.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.866 . . . . 63.31 110.215 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.1 t80 -116.16 132.96 56.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.348 -0.845 . . . . 75.43 110.137 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 10.4 p90 -82.58 147.27 28.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 73.33 110.48 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.735 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.32 -44.78 5.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.414 -0.804 . . . . 63.32 110.159 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 101' ' ' MET . 82.9 mt -104.33 -45.91 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 72.52 110.372 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 14.0 tttp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 73.12 110.199 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.2 p30 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.195 0.521 . . . . 64.13 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.402 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 81.3 m -57.69 -43.98 85.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 55.02 109.876 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.48 -31.03 68.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.924 . . . . 62.04 109.895 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' SD ' ' A' ' 70' ' ' MET . 20.7 tp -58.31 -38.67 77.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.475 -0.765 . . . . 64.32 110.072 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.507 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.01 -33.89 57.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 75.13 109.73 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -57.56 -51.82 67.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 73.31 110.255 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.2 ptm85 -66.91 -36.33 82.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -0.888 . . . . 73.14 110.46 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.58 -42.57 86.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.902 . . . . 42.34 110.4 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.84 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.31 -33.86 47.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.366 -0.833 . . . . 42.13 110.426 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 1.7 t -56.49 -50.16 72.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 75.13 110.339 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.3 ptt? -69.86 -30.82 68.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 42.33 110.006 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 113' ' ' LEU . 55.9 t -74.87 -37.32 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 70.44 110.751 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.619 ' HB2' HD12 ' A' ' 36' ' ' LEU . 22.3 pt-20 -80.0 -19.39 47.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 71.21 110.674 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 7.3 pttp -103.46 -15.98 15.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.089 -1.007 . . . . 75.33 110.382 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 115.55 1.33 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.167 -0.958 . . . . 74.45 110.29 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.9 ptpt -61.3 -27.39 68.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 74.1 110.263 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.14 -43.02 79.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 72.52 109.969 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.563 HG13 HD21 ' A' ' 113' ' ' LEU . 41.4 mm -76.29 -37.87 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.892 . . . . 60.32 110.347 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.95 -35.33 58.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.063 -1.023 . . . . 73.44 109.808 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 22.3 m -61.98 -36.67 82.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 73.35 109.562 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.7 mt -73.27 -39.05 65.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.358 -0.839 . . . . 74.45 109.651 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -0.82 57.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 63.5 110.265 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.6 mt-30 53.11 32.63 13.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 73.11 110.072 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 70.14 110.228 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.979 -0.749 . . . . 73.24 108.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 15' ' ' GLU . 14.6 mt -98.97 146.22 26.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 74.04 111.169 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -120.1 129.36 54.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.715 -0.616 . . . . 75.42 109.759 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.84 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.65 143.3 50.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 71.24 110.382 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.7 p90 -147.5 161.22 41.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -0.828 . . . . 72.22 109.903 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.549 -1.421 . . . . 73.2 109.549 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.428 HD12 ' HA3' ' A' ' 40' ' ' GLY . 16.5 mm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.508 0.67 . . . . 74.32 110.406 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 55' ' ' VAL . 7.7 p -96.3 140.84 16.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.504 -0.748 . . . . 75.15 110.334 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.59 149.39 40.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 75.42 110.391 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.4 p -109.56 143.3 39.44 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.321 -0.862 . . . . 62.13 109.992 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -115.89 136.18 53.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 75.33 110.393 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 61.22 109.9 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.146 0.498 . . . . 73.3 110.048 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.501 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 51.1 m -88.54 134.66 33.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 74.01 110.442 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -108.56 149.25 29.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.871 . . . . 73.44 110.225 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.08 141.71 48.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 74.3 110.489 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 86' ' ' GLU . 57.2 m-85 -124.19 120.04 31.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 73.21 110.008 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.433 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 4.0 ttm -133.16 134.38 44.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 74.25 110.172 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -140.9 145.27 35.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 73.13 110.609 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.65 ' CE2' HG11 ' A' ' 83' ' ' VAL . 3.4 p90 -156.92 161.48 39.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 63.13 109.938 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.662 ' ND1' HD23 ' A' ' 82' ' ' LEU . 5.2 m-70 -100.7 159.41 15.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.096 -1.002 . . . . 71.43 110.45 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 38' ' ' ALA . 60.5 t -123.68 130.69 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.383 -0.823 . . . . 44.4 109.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -106.63 118.76 37.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 63.43 110.848 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 p -112.14 174.29 5.95 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.333 -0.854 . . . . 63.22 109.486 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -79.98 -18.34 50.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.134 -0.979 . . . . 62.12 109.538 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.07 -28.07 15.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 72.11 110.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -179.05 -173.62 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 75.53 110.754 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.504 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 43.1 mt -115.12 145.07 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.82 . . . . 63.04 109.962 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.44 157.27 42.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 60.45 110.637 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 83' ' ' VAL . 3.0 tm? -112.96 128.63 56.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 62.55 109.236 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 82' ' ' LEU . 74.0 t -115.87 126.56 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 64.43 111.33 -179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.5 t-80 -129.18 139.03 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.088 -0.708 . . . . 73.31 109.088 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.719 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.5 pp -148.25 153.67 39.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.919 -1.113 . . . . 73.25 111.178 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.592 ' HG3' ' CE2' ' A' ' 69' ' ' TYR . 5.2 tt0 -124.51 135.15 52.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.545 -0.722 . . . . 44.52 109.435 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -124.68 153.83 41.71 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.975 -1.078 . . . . 54.52 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.576 ' CD ' HG21 ' A' ' 99' ' ' ILE . 1.1 ptmm? -131.22 144.08 51.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.478 -0.764 . . . . 75.35 109.703 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.501 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 75.43 111.061 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HB3' ' C ' ' A' ' 88' ' ' LYS . 50.4 Cg_exo . . . . . 0 N--CA 1.483 0.857 0 N-CA-C 110.432 -0.641 . . . . 71.33 110.432 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.16 157.54 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.276 -0.89 . . . . 73.12 110.016 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.559 ' HD2' HD13 ' A' ' 85' ' ' LEU . 75.4 m-85 -88.54 136.87 32.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 74.34 110.389 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.576 HG21 ' CD ' ' A' ' 88' ' ' LYS . 4.0 pt -117.77 -12.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 74.13 109.974 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 34.0 m120 -147.62 128.28 14.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 70.24 110.14 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.734 ' HB2' HD12 ' A' ' 114' ' ' ILE . 1.8 tpt -149.88 115.21 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.339 -0.851 . . . . 55.4 109.803 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.9 p90 -147.53 151.25 36.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 75.44 110.316 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 83' ' ' VAL . 21.9 t -119.4 148.35 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 71.35 110.223 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.33 123.0 40.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 62.04 110.358 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.46 ' HB ' ' HB3' ' A' ' 108' ' ' GLU . 36.3 t -104.84 129.96 23.98 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 70.55 109.963 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.0 Cg_exo -63.11 126.79 18.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.779 1.41 . . . . 63.51 110.27 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.66 45.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.831 -1.308 . . . . 73.44 109.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -118.39 164.82 14.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 61.05 110.192 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -76.66 142.15 40.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.92 . . . . 75.21 110.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -77.21 140.62 40.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 62.44 110.738 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -121.08 127.36 51.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.804 . . . . 73.41 109.693 179.609 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 29.2 p90 -77.21 141.8 39.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.166 -0.959 . . . . 74.31 110.604 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.574 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -95.13 -35.82 11.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.368 -0.832 . . . . 74.15 110.184 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.734 HD12 ' HB2' ' A' ' 101' ' ' MET . 52.2 mt -127.04 -42.98 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 60.14 110.13 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 9.4 ttmt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 62.33 110.235 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.264 0.554 . . . . 75.51 110.13 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -54.44 -44.34 72.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.173 -0.954 . . . . 73.21 109.98 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.44 -30.81 67.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 74.51 110.035 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 4.0 mp -61.79 -41.93 98.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.925 . . . . 74.21 110.09 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.542 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.79 -33.59 58.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 74.04 109.663 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -54.37 -52.05 62.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.353 -0.842 . . . . 75.05 110.052 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 2.8 ptm180 -66.85 -31.43 72.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.945 . . . . 75.41 109.79 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.84 -44.09 90.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 74.11 109.475 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.95 -35.05 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.364 -0.835 . . . . 63.01 109.291 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.5 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -52.68 -49.33 65.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.338 -0.851 . . . . 63.12 109.699 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.559 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptp -70.78 -30.95 67.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.238 -0.914 . . . . 71.12 109.353 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ALA . 51.5 t -71.48 -41.14 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.481 -0.762 . . . . 71.21 110.458 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.771 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.78 -25.19 53.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.9 . . . . 74.15 110.229 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -97.37 -18.57 19.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 63.41 110.199 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 6.5 t-20 -48.45 123.44 6.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.183 -0.948 . . . . 73.34 109.897 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -62.08 -37.91 86.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 65.02 110.591 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 3.5 m-20 -61.14 -45.35 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 65.33 110.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.426 ' CG1' HD11 ' A' ' 113' ' ' LEU . 50.2 mm -68.92 -35.58 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 73.24 109.884 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -50.32 -39.23 45.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 61.31 109.535 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 m -67.4 -36.18 80.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.432 -0.793 . . . . 73.35 109.611 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 38.5 mt -73.85 -40.41 63.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 64.33 109.801 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -86.38 -8.3 57.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 53.33 110.252 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 23.4 mt-30 48.37 27.48 1.38 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 62.2 109.647 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.774 . . . . 62.55 110.422 -179.692 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.298 0.571 . . . . 65.04 109.978 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD22 ' OG ' ' A' ' 76' ' ' SER . 72.7 mt -109.69 146.39 34.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 71.44 110.498 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 137.16 51.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.369 -0.832 . . . . 75.31 109.971 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.666 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -129.58 163.2 26.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 64.11 110.4 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 11.0 p90 -160.21 148.09 16.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.223 -0.923 . . . . 73.3 110.34 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.801 -1.32 . . . . 73.25 109.801 -179.86 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 54' ' ' ILE . 14.4 mm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.695 -0.483 . . . . 44.44 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.9 143.94 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.208 -0.933 . . . . 65.2 110.594 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.461 ' HB3' ' CE ' ' A' ' 70' ' ' MET . 0.5 OUTLIER -129.46 150.6 50.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.359 -0.838 . . . . 71.41 110.217 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 71.8 p -101.43 147.65 26.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 73.41 110.217 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.25 134.39 55.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 61.13 110.375 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 70.54 110.047 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.234 0.54 . . . . 75.11 110.123 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 7.5 m -84.1 130.36 34.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 73.14 110.317 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.55 143.41 39.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.198 -0.939 . . . . 62.45 110.13 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 57' ' ' THR . 21.8 m-70 -117.47 145.9 43.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 74.23 110.318 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 12.3 m-85 -121.37 131.39 54.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 54.43 109.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 56' ' ' SER . 3.2 ttm -134.46 128.25 33.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.125 -0.985 . . . . 75.23 110.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 15.2 ptm180 -133.45 142.19 48.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 72.22 110.246 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -154.76 151.46 28.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 75.41 109.992 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 73' ' ' HIS . 2.1 m-70 -89.06 150.51 22.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.93 . . . . 73.44 110.375 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 40.3 t -124.12 130.68 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 74.4 109.89 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.1 120.21 40.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 72.44 110.416 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.891 ' OG ' HD22 ' A' ' 36' ' ' LEU . 44.5 m -113.19 165.54 12.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.336 -0.852 . . . . 44.12 109.953 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -70.0 -17.85 63.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.35 110.138 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 2.3 mttm -96.88 -25.56 15.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 75.02 110.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 1.8 ttmt 177.61 -167.65 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.975 . . . . 72.51 110.499 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.72 144.34 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.402 -0.811 . . . . 73.31 109.301 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.61 155.98 46.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.041 -1.037 . . . . 54.44 111.097 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.5 tm? -113.24 125.61 54.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.517 -0.739 . . . . 63.32 109.134 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 HG22 ' A' ' 103' ' ' VAL . 27.9 t -112.93 133.36 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.92 . . . . 74.24 111.421 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 21.4 t-160 -128.7 130.43 47.14 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.039 -0.726 . . . . 64.24 109.039 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.646 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -137.25 148.58 46.55 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 74.25 111.106 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -119.79 134.87 55.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 63.15 109.449 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -129.33 151.34 50.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 64.24 110.895 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.636 ' HG2' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -128.81 144.51 51.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 75.03 109.603 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.109 -0.995 . . . . 71.22 110.702 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.0 Cg_endo . . . . . 0 N--CA 1.484 0.965 0 N-CA-C 110.427 -0.644 . . . . 72.21 110.427 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 19.0 m-20 -132.71 157.74 44.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.872 . . . . 61.31 110.322 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.734 ' C ' HD13 ' A' ' 99' ' ' ILE . 62.5 m-85 -103.62 134.47 46.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 74.13 109.785 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -116.3 -24.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 72.41 109.92 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -134.36 128.94 34.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.201 -0.937 . . . . 63.22 110.212 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.429 ' HE1' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.56 118.07 6.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 62.24 110.174 179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 12.9 p90 -147.36 157.82 43.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.959 . . . . 74.31 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.732 HG22 HG13 ' A' ' 83' ' ' VAL . 54.8 t -129.07 151.21 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.199 -0.938 . . . . 62.11 110.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 110' ' ' ARG . 3.5 m-20 -101.47 115.16 29.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 72.1 110.26 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.04 117.43 67.16 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 71.44 109.727 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -59.33 126.37 20.63 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.761 1.4 . . . . 72.31 110.811 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.14 -20.13 14.59 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.337 -1.105 . . . . 34.3 110.337 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -118.4 166.04 13.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.293 . . . . 65.21 110.581 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -69.89 151.05 46.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.373 -0.829 . . . . 72.21 110.581 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -74.2 141.28 45.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 71.12 110.128 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 33.6 t80 -117.07 133.2 56.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 73.14 110.192 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -89.76 143.95 26.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 73.12 110.429 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.426 HD11 ' CG1' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.54 -39.29 7.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 64.54 109.975 179.672 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 99' ' ' ILE . 48.1 mt -119.18 -39.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 74.45 109.965 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.9 tttm . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 71.11 110.266 -179.895 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.264 0.554 . . . . 65.12 110.064 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -66.85 -34.72 78.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 54.31 109.992 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -69.75 -31.34 69.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.852 . . . . 72.33 110.102 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -62.04 -41.57 98.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.285 -0.884 . . . . 53.43 110.127 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.17 -37.0 61.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 74.13 109.658 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.8 m120 -56.16 -51.79 66.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 74.34 110.46 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 16.8 ptm180 -60.46 -37.66 81.72 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 71.23 110.243 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.56 -43.81 72.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.16 -0.962 . . . . 75.25 109.993 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.858 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -69.01 -31.61 51.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.359 -0.838 . . . . 73.0 110.08 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 35.1 m -59.8 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.855 . . . . 73.52 110.416 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 11.4 ptt? -72.03 -30.59 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.162 -0.961 . . . . 71.15 109.988 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.4 t -75.34 -41.44 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.28 -0.887 . . . . 73.02 110.797 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -75.09 -22.0 58.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.232 -0.918 . . . . 74.43 110.701 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -98.7 -15.88 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 63.4 110.453 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 31.8 t-20 -49.59 123.11 7.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 72.42 110.251 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 6.1 pttt -60.97 -32.86 72.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 62.02 110.202 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 3.3 m-20 -67.75 -42.48 81.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 72.33 110.584 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.82 -34.4 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.229 -0.919 . . . . 64.14 110.33 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 ttm180 -55.79 -37.41 68.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.878 . . . . 61.02 110.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -63.73 -40.32 96.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 64.53 109.904 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 111' ' ' TYR . 12.2 mt -73.07 -44.7 60.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 75.13 109.832 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -86.38 0.88 53.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.44 -0.788 . . . . 73.42 110.146 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CD ' ' A' ' 78' ' ' LYS . 43.5 mt-30 56.46 31.34 18.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 71.34 109.745 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' ' 36' ' ' LEU . 37.1 t . . . . . 0 N--CA 1.486 1.335 0 O-C-N 121.335 -0.853 . . . . 31.31 110.295 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.341 -0.614 . . . . 74.43 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD11 ' SG ' ' A' ' 26' ' ' CYS . 20.1 mt -102.32 145.11 29.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 72.11 110.199 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 129.69 45.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.295 -0.878 . . . . 53.34 110.555 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 1.005 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -119.14 163.33 17.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.389 -0.819 . . . . 43.51 109.275 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -161.38 141.28 10.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.885 -1.134 . . . . 72.22 111.175 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.061 -1.616 . . . . 40.22 109.061 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.563 HG22 ' HE1' ' A' ' 70' ' ' MET . 48.3 mm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.289 0.566 . . . . 55.34 110.289 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.02 150.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.415 -0.803 . . . . 73.41 110.594 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -115.99 147.59 41.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.396 -0.815 . . . . 65.4 110.004 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.6 147.22 25.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.359 -0.838 . . . . 54.24 110.241 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 3.4 ptmt -136.63 128.71 29.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.898 . . . . 72.43 110.577 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 70.32 109.65 179.6 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.21 0.529 . . . . 74.32 110.212 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 22.1 m -91.8 137.07 32.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 61.53 110.543 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -113.18 147.42 37.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 61.35 109.705 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 10.3 t-80 -123.33 136.92 54.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.104 -0.998 . . . . 73.23 110.827 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 73.5 m-85 -125.67 121.74 34.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.444 -0.785 . . . . 74.44 109.939 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HE1' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -139.75 144.85 37.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 64.52 110.467 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' HD3' ' CE1' ' A' ' 84' ' ' HIS . 10.9 ptp180 -146.12 149.04 33.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -0.911 . . . . 74.11 110.142 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 11.5 p90 -159.31 152.08 21.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.286 -0.884 . . . . 71.24 110.205 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -88.59 155.78 19.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 75.14 110.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 38' ' ' ALA . 2.7 t -125.85 131.19 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 51.23 109.984 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -109.33 117.93 35.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.94 . . . . 73.21 110.338 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.626 ' HB2' HD22 ' A' ' 36' ' ' LEU . 82.4 p -110.04 170.79 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.196 -0.94 . . . . 64.5 110.351 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -70.63 -13.37 62.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.318 -0.864 . . . . 72.41 110.137 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -103.35 -23.65 13.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 73.33 110.586 -179.598 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HD2' ' HG2' ' A' ' 106' ' ' PRO . 4.3 ttmt 175.44 -169.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 73.41 110.414 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.2 141.62 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 70.34 109.83 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.69 43.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 75.41 110.581 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 20.6 tp -113.37 129.84 56.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 75.14 109.431 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 103' ' ' VAL . 58.5 t -110.45 133.35 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 62.34 111.067 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . 2.1 m-70 -129.2 120.38 25.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 75.44 109.344 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.629 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 pp -130.67 152.03 50.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.035 -1.04 . . . . 72.44 110.996 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -127.92 123.35 34.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.455 -0.778 . . . . 71.24 109.468 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.67 150.8 42.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.027 -1.045 . . . . 60.44 111.266 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.74 145.28 48.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.691 -0.631 . . . . 72.43 109.357 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 15.1 pt-20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.07 -1.019 . . . . 72.04 110.236 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.482 0.846 0 N-CA-C 110.044 -0.791 . . . . 74.23 110.044 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 137.84 51.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 42.33 110.322 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 85' ' ' LEU . 77.0 m-85 -83.16 138.66 33.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 63.53 109.814 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.446 HD13 ' HG2' ' A' ' 88' ' ' LYS . 4.8 pt -122.92 -17.28 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.086 -1.009 . . . . 71.45 110.519 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -153.53 129.26 10.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.942 . . . . 75.33 110.117 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.622 ' HE3' ' HB3' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.22 123.79 9.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 62.53 110.197 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 84' ' ' HIS . 34.8 p90 -147.41 154.5 40.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -0.922 . . . . 74.3 110.466 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 83' ' ' VAL . 93.3 t -123.52 147.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 62.53 110.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.16 115.15 29.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.173 -0.955 . . . . 64.45 110.167 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.63 129.24 27.13 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.878 . . . . 71.42 110.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 19.6 Cg_endo -64.39 126.15 16.41 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.892 1.469 . . . . 63.21 110.208 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.43 -18.11 20.58 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.087 -1.205 . . . . 61.54 110.087 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.437 ' OE2' HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -118.77 170.07 9.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.244 . . . . 70.1 110.565 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -83.42 143.27 30.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 73.14 110.208 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.6 ptt180 -66.73 135.9 54.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 62.53 110.459 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.701 ' CD2' HD11 ' A' ' 23' ' ' LEU . 3.1 t80 -107.15 132.22 53.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.889 . . . . 60.05 109.996 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 18.9 p90 -87.2 131.18 34.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -0.896 . . . . 63.14 110.429 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.523 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -82.87 -41.24 19.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 42.33 109.682 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 65.4 mt -111.79 -82.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.805 . . . . 72.11 109.977 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 1.3 ttpt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 35.15 110.22 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 4.7 p-10 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.233 0.54 . . . . 64.13 110.151 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.6 m -58.11 -49.68 76.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 55.02 109.962 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.01 -30.52 35.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 62.04 109.908 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -41.93 99.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 64.32 110.023 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.57 -33.48 58.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.284 -0.885 . . . . 75.13 109.763 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.86 -45.93 74.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 73.31 110.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 12.5 ptm180 -74.12 -33.61 63.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 73.14 110.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.55 -43.52 72.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 42.34 109.832 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.943 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.23 -33.86 66.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.188 -0.945 . . . . 42.13 109.956 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.5 t -65.79 -43.65 88.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 75.13 110.403 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.8 ptp -70.31 -31.72 69.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 42.33 110.189 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 13' ' ' MET . 27.3 t -75.22 -47.12 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.192 -0.942 . . . . 70.44 110.613 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.783 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.6 pp20? -62.47 -27.22 68.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.22 -0.925 . . . . 71.21 110.332 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -94.26 -17.02 23.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.093 -1.004 . . . . 75.33 110.041 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.84 115.72 1.37 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.857 . . . . 74.45 110.243 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -58.8 -29.38 66.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.896 . . . . 74.1 109.945 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -67.88 -48.48 65.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 72.52 109.911 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.433 HD11 ' CD1' ' A' ' 111' ' ' TYR . 22.7 mm -70.31 -37.76 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 60.32 109.829 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' GLN . 16.5 ttm180 -51.12 -35.43 35.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 73.44 109.814 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -61.65 -40.98 96.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 73.35 109.965 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.54 -35.61 65.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.311 -0.868 . . . . 74.45 109.812 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -95.51 0.99 53.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.559 -0.713 . . . . 63.5 110.925 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . 45.7 mt-30 51.46 36.02 15.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 73.11 109.534 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . 10.0 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.388 -0.82 . . . . 70.14 110.439 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.36 0.6 . . . . 73.24 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.3 mt -108.41 146.46 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.871 . . . . 74.04 110.34 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -116.29 132.61 56.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 75.42 110.264 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.943 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -142.17 152.36 43.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 71.24 110.158 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.74 168.93 25.93 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 72.22 110.303 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.819 -1.312 . . . . 73.2 109.819 -179.694 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 54' ' ' ILE . 20.8 mm . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.402 -0.592 . . . . 74.32 109.402 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.0 p -95.26 145.45 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.901 -1.124 . . . . 75.15 110.844 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.61 150.3 51.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.75 -0.594 . . . . 75.42 110.04 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 16.6 p -110.67 147.78 33.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.855 . . . . 62.13 110.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 2.0 ptmt -129.35 131.78 46.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.906 . . . . 75.33 110.297 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.374 -0.829 . . . . 61.22 110.132 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HG2' ' HE2' ' A' ' 88' ' ' LYS . 2.2 ttp180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.313 0.578 . . . . 73.3 110.207 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.51 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 99.2 m -76.55 134.86 39.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 74.01 110.245 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.6 m170 -109.38 147.95 31.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.295 -0.878 . . . . 73.44 110.095 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 57' ' ' THR . 11.8 m-70 -123.67 136.99 54.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 74.3 110.447 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 29.9 m-85 -123.35 124.61 43.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.899 . . . . 73.21 110.02 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 tpp -143.65 145.42 32.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.892 . . . . 74.25 110.342 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -150.34 152.11 33.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 73.13 110.252 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 2.5 p90 -153.94 152.94 31.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.264 -0.898 . . . . 63.13 110.104 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.68 ' CE1' HD11 ' A' ' 82' ' ' LEU . 10.9 m-70 -93.04 158.67 15.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 71.43 110.505 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 38' ' ' ALA . 30.6 t -128.45 130.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 44.4 109.752 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -104.47 123.62 47.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 63.43 110.684 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.449 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 18.8 t -117.01 168.94 9.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.431 -0.793 . . . . 63.22 109.914 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.88 -13.58 60.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 62.12 110.429 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.87 -28.21 12.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 72.11 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 24' ' ' LEU . 2.6 ptpt -178.22 -175.23 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.145 -0.972 . . . . 75.53 110.312 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 8.6 mt -114.75 143.83 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 63.04 110.046 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.93 156.09 46.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 60.45 110.662 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.68 HD11 ' CE1' ' A' ' 73' ' ' HIS . 1.4 tt -119.11 125.35 49.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.444 -0.785 . . . . 62.55 109.713 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 93.8 t -111.7 133.68 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.351 -0.843 . . . . 64.43 111.159 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 71' ' ' ARG . 2.8 t-80 -130.64 128.49 41.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.534 -0.728 . . . . 73.31 109.626 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.91 153.09 48.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 73.25 110.934 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.42 130.21 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -0.788 . . . . 44.52 109.753 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -127.36 142.1 51.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 54.52 110.581 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HE2' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -129.79 144.61 51.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 75.35 110.535 -179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.87 . . . . 75.43 109.783 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.463 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 24.7 Cg_exo . . . . . 0 N--CA 1.484 0.969 0 N-CA-C 110.07 -0.781 . . . . 71.33 110.07 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.22 133.93 54.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 73.12 110.491 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 85' ' ' LEU . 26.4 m-85 -60.65 130.32 45.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.355 -0.84 . . . . 74.34 110.223 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 pt -118.6 -14.02 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 74.13 110.075 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -154.78 129.7 9.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.31 -0.869 . . . . 70.24 109.853 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.874 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -148.53 121.13 8.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 55.4 110.623 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 53.5 p90 -147.43 152.47 38.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.23 -0.919 . . . . 75.44 110.376 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.8 p -119.22 148.04 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 71.35 110.029 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -112.1 124.94 53.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 62.04 110.372 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.11 126.93 28.22 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 70.55 109.892 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' CD ' ' O ' ' A' ' 80' ' ' ILE . 38.9 Cg_exo -55.78 126.46 22.52 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.883 1.465 . . . . 63.51 110.552 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.08 -19.98 18.86 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.189 -1.164 . . . . 73.44 110.189 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 170.0 9.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.954 -1.321 . . . . 61.05 110.713 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -81.34 149.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.88 . . . . 75.21 110.103 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 16.4 ptp180 -71.24 143.91 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 62.44 110.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 15.7 t80 -111.47 132.97 54.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.249 -0.907 . . . . 73.41 110.259 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.5 p90 -84.3 129.81 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -0.913 . . . . 74.31 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -88.17 -33.95 18.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -0.906 . . . . 74.15 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 101' ' ' MET . 89.7 mt -111.69 -52.77 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 60.14 110.135 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 62.33 110.273 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.455 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 2.1 p30 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.222 0.534 . . . . 73.24 110.073 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 20.9 m -68.74 -34.07 74.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.882 . . . . 72.24 109.845 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.44 -37.59 83.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 73.31 110.04 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -42.28 76.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 74.24 110.165 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.38 -33.23 58.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.291 -0.881 . . . . 75.24 109.922 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.28 -49.75 75.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 72.31 110.678 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -68.21 -33.42 74.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.136 -0.978 . . . . 74.21 110.588 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.12 -42.27 76.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.165 -0.959 . . . . 41.45 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.59 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.62 -31.2 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 73.31 109.977 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -53.89 -48.63 69.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.257 -0.902 . . . . 75.13 110.062 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.1 ptm -71.71 -30.6 65.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 50.32 109.794 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 13' ' ' MET . 20.1 t -72.49 -39.54 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.432 -0.793 . . . . 54.13 110.87 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -80.45 -20.76 43.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.168 -0.957 . . . . 74.33 110.772 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -96.62 -15.72 21.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.086 -1.009 . . . . 74.41 110.525 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.672 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.9 t30 -47.02 124.23 6.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.198 -0.939 . . . . 71.34 110.248 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.5 mmtm -66.04 -35.34 80.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.16 -0.962 . . . . 64.44 110.145 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -66.73 -45.26 79.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.244 -0.91 . . . . 74.44 110.0 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 50.4 mm -67.16 -32.54 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 72.32 110.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -57.58 -33.19 67.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.225 -0.922 . . . . 73.45 109.81 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.542 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -64.95 -40.85 95.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.323 -0.861 . . . . 72.15 109.842 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . 38.7 mt -73.5 -37.11 65.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 74.25 109.428 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' SG ' ' A' ' 26' ' ' CYS . 14.3 tp -84.39 -0.96 54.67 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 72.52 110.264 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 50.95 31.5 6.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 73.32 110.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.788 ' SG ' HD23 ' A' ' 24' ' ' LEU . 18.5 m . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 65.23 110.401 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.293 0.568 . . . . 54.03 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 26' ' ' CYS . 16.6 mt -107.35 146.52 31.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 74.1 110.555 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 140.78 51.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.378 -0.826 . . . . 72.1 110.245 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -130.09 164.22 24.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 70.45 110.144 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 8.6 p90 -156.59 165.71 35.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.253 -0.904 . . . . 63.44 110.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.641 -1.383 . . . . 72.34 109.641 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.2 mm . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.281 0.563 . . . . 64.12 110.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.2 t -96.58 139.17 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.857 . . . . 70.11 110.09 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -123.49 149.32 45.3 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.268 -0.895 . . . . 73.05 110.248 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 43.5 p -107.38 139.22 42.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.296 -0.878 . . . . 64.22 110.198 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -126.13 127.02 45.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 73.14 110.202 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 75.22 109.874 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.229 0.538 . . . . 75.34 110.03 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 58' ' ' LYS . 70.8 m -76.5 131.61 39.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 61.15 110.585 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 8.7 m-70 -105.93 142.82 34.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.325 -0.859 . . . . 70.41 109.801 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.4 m-70 -116.83 137.21 52.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 73.42 110.452 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 18.5 m-85 -123.73 127.6 48.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 65.45 110.147 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.16 129.31 31.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 75.31 110.32 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.68 144.45 41.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -0.959 . . . . 74.25 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.2 p90 -153.33 159.67 42.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 65.42 109.865 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m80 -98.01 157.52 16.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 65.4 110.759 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 38' ' ' ALA . 78.6 t -123.92 140.43 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.471 -0.768 . . . . 72.33 109.488 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.96 126.99 53.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.031 -1.043 . . . . 74.13 110.777 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.455 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.93 177.08 4.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 65.14 109.752 179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -79.72 -13.48 59.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 75.24 110.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -24.24 11.95 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.113 -0.992 . . . . 64.21 110.676 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -175.84 -160.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.03 -1.044 . . . . 74.42 110.552 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 80' ' ' ILE . 5.5 mt -129.91 133.59 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 74.42 109.95 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.92 157.54 25.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.121 -0.987 . . . . 75.24 110.507 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.658 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -112.92 136.73 52.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 71.23 109.513 179.635 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 73.2 t -110.94 135.48 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.193 -0.942 . . . . 72.23 110.735 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' HD22 ' A' ' 82' ' ' LEU . 10.6 m-70 -129.38 117.77 21.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.391 -0.818 . . . . 73.4 109.909 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.36 152.62 48.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 60.23 110.252 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 tt0 -131.49 132.04 43.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 73.22 110.258 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.0 147.68 50.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 75.21 109.899 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 99' ' ' ILE . 1.5 ptmm? -134.29 144.23 48.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.153 -0.967 . . . . 61.43 110.574 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.444 -0.785 . . . . 61.05 110.117 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 110.434 -0.641 . . . . 65.41 110.434 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -111.54 128.77 56.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 63.32 109.87 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 29.4 m-85 -58.66 123.88 17.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.98 . . . . 65.34 110.021 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.786 HG21 ' HD3' ' A' ' 88' ' ' LYS . 6.3 pt -111.93 -14.98 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 64.55 110.159 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 71.2 m-80 -149.05 128.9 13.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 70.23 109.931 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.73 ' CB ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -149.62 119.66 7.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 73.33 110.608 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 49.7 p90 -147.52 163.87 35.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 72.52 109.952 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 82' ' ' LEU . 80.7 t -127.1 151.61 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 73.54 110.475 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -109.55 118.3 36.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.483 -0.761 . . . . 72.23 110.126 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.73 127.68 26.56 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 74.22 110.179 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.37 131.16 18.49 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.883 1.465 . . . . 73.22 110.534 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.84 -19.57 28.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.035 -1.226 . . . . 70.33 110.035 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -117.14 168.46 10.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.034 -1.274 . . . . 53.32 110.453 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.4 135.05 36.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 75.41 110.076 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -55.46 133.73 50.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.91 . . . . 72.51 110.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.534 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.2 t80 -119.97 111.57 18.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 73.04 110.096 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 43.4 p90 -75.94 144.44 41.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.111 -0.993 . . . . 73.25 110.195 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.672 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -94.4 -48.23 6.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.942 . . . . 64.51 110.523 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.73 HD12 ' CB ' ' A' ' 101' ' ' MET . 91.9 mt -101.45 -73.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 74.45 110.299 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' CB ' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.127 -0.983 . . . . 72.1 110.211 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.29 0.567 . . . . 70.45 110.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -55.9 -46.83 78.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 72.21 110.238 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 37.5 mt-30 -60.92 -35.57 77.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.312 -0.867 . . . . 71.43 109.934 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.85 -46.11 71.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.399 -0.813 . . . . 72.31 109.89 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.637 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.41 -33.17 64.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.35 -0.844 . . . . 74.41 109.608 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' SER . 31.3 m-20 -53.61 -48.83 68.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 72.25 110.375 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.7 ptm180 -72.09 -33.35 67.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 75.41 110.351 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.37 -45.98 61.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 45.22 109.545 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' CE2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -71.21 -32.99 49.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.387 -0.821 . . . . 70.2 109.921 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 30.5 t -59.4 -50.64 73.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 73.2 110.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.1 ptp -65.23 -31.59 72.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 73.04 109.854 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.687 HG21 ' HE3' ' A' ' 101' ' ' MET . 40.9 t -74.06 -51.71 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 60.42 110.344 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.3 pt-20 -62.55 -21.46 65.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 65.44 110.117 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -102.22 -14.38 17.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 71.11 109.838 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.7 OUTLIER -42.0 128.68 3.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.406 -0.809 . . . . 62.11 110.527 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -66.46 -45.05 81.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 74.23 109.764 179.744 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.16 92.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.739 -0.601 . . . . 71.1 110.359 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 48.2 mm -72.32 -32.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.932 . . . . 71.4 109.878 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 2.1 ttt-85 -51.14 -37.78 48.2 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.911 . . . . 73.04 109.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -29.51 67.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.402 -0.811 . . . . 71.21 109.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ILE . 51.3 mt -73.4 -45.14 56.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 73.33 109.454 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 81' ' ' ALA . 1.2 mm? -87.4 -9.73 53.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.448 -0.783 . . . . 74.14 110.0 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.3 mt-30 57.57 31.6 20.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.262 -0.899 . . . . 75.43 110.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 75.42 110.22 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.279 0.561 . . . . 74.1 110.082 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 15' ' ' GLU . 10.7 mt -110.09 147.25 33.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 74.3 110.859 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -114.88 134.72 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 64.14 110.307 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.841 ' CB ' HG22 ' A' ' 74' ' ' VAL . . . -140.08 160.21 40.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 71.24 110.232 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 8.0 p90 -150.81 171.68 16.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 73.21 110.245 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 109.735 -1.346 . . . . 72.4 109.735 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 54' ' ' ILE . 23.9 mm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.367 0.603 . . . . 53.52 110.432 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -114.76 149.73 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.338 -0.851 . . . . 71.22 109.937 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.6 144.43 50.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.244 -0.91 . . . . 61.31 110.385 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -103.5 141.93 35.15 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.257 -0.902 . . . . 65.44 110.368 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -131.39 125.99 34.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 74.42 110.182 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 65.01 110.182 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.196 0.522 . . . . 73.32 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 18.2 m -81.48 134.21 35.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.258 -0.901 . . . . 73.23 110.71 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.606 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.13 142.38 47.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.462 -0.774 . . . . 74.21 109.606 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 7.8 t-80 -128.53 138.83 52.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.081 -1.012 . . . . 62.42 110.75 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.08 126.14 46.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.437 -0.79 . . . . 54.4 109.503 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.48 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -137.19 135.12 37.01 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.011 -1.055 . . . . 73.44 110.682 -179.549 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 1.8 ptt180 -144.57 152.28 40.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.388 -0.82 . . . . 75.01 109.71 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.5 p90 -156.55 164.47 38.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.042 -1.036 . . . . 72.24 110.28 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.758 ' ND1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -104.99 147.81 27.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.85 . . . . 73.22 110.52 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.841 HG22 ' CB ' ' A' ' 38' ' ' ALA . 66.5 t -125.37 131.13 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 74.31 109.567 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.486 ' HG2' HG13 ' A' ' 80' ' ' ILE . 1.5 tt0 -108.53 132.53 53.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.114 -0.992 . . . . 70.3 110.824 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' HD23 ' A' ' 36' ' ' LEU . 1.5 m -116.49 171.71 7.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.327 -0.858 . . . . 74.32 109.813 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -73.92 -15.81 61.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.082 -1.011 . . . . 74.2 110.246 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -103.86 -29.44 10.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -0.95 . . . . 74.12 110.342 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 2.4 mtmt -170.67 -170.89 0.96 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.325 -0.859 . . . . 75.42 110.326 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.2 mp -125.86 143.38 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.88 . . . . 74.22 110.051 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -131.23 155.18 47.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 44.42 110.513 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 72' ' ' PHE . 15.2 tp -113.33 133.87 54.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 52.34 109.642 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 20.9 t -106.49 136.18 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.082 -1.011 . . . . 75.52 110.858 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -130.07 120.14 24.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.522 -0.737 . . . . 65.12 109.65 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.28 154.0 50.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.051 -1.031 . . . . 53.41 110.859 -179.66 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.686 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.32 136.04 49.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.433 -0.792 . . . . 62.25 109.721 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -129.55 133.17 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.059 -1.026 . . . . 53.24 110.501 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.606 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 10.2 ptmt -134.53 143.77 47.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 72.33 110.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 74.3 110.395 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 12.3 Cg_endo . . . . . 0 N--CA 1.48 0.678 0 N-CA-C 110.423 -0.645 . . . . 73.23 110.423 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.59 138.3 38.77 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.28 -0.887 . . . . 63.44 110.091 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -62.31 132.47 52.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.371 -0.83 . . . . 75.11 110.274 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.536 HG21 ' HD3' ' A' ' 88' ' ' LYS . 1.6 pt -118.41 -15.52 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.233 -0.917 . . . . 73.44 109.976 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 76.0 m-20 -150.78 131.15 13.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 75.44 109.797 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.687 ' HE3' HG21 ' A' ' 14' ' ' VAL . 1.8 tpt -148.54 118.84 7.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.133 -0.979 . . . . 71.31 110.672 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 15.0 p90 -148.6 157.6 43.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 72.52 110.134 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 80.9 t -121.6 155.38 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.197 -0.939 . . . . 75.43 110.214 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -123.99 121.26 34.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 65.14 110.463 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 108' ' ' GLU . 2.6 p -118.7 128.73 25.8 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 52.53 109.881 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.6 Cg_exo -62.73 130.89 31.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 123.872 1.459 . . . . 71.53 111.025 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.82 -17.08 33.13 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.426 -1.07 . . . . 73.02 110.426 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 105' ' ' VAL . 2.0 mm-40 -118.18 164.11 15.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.011 -1.288 . . . . 75.13 110.609 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 120.63 25.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.848 . . . . 70.03 110.168 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 2.5 ptm180 -55.44 139.84 42.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.237 -0.914 . . . . 74.33 110.024 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -117.13 132.96 56.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 74.01 110.145 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 21.7 p90 -80.94 137.9 36.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 72.53 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.518 ' CB ' ' HG3' ' A' ' 101' ' ' MET . 0.2 OUTLIER -90.86 -36.84 13.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 72.21 109.97 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 101' ' ' MET . 77.6 mt -123.32 -43.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.169 -0.957 . . . . 70.43 110.178 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.54 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 54.21 110.213 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.247 0.546 . . . . 75.51 109.997 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 8' ' ' ASN . 7.1 m -59.63 -51.76 68.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 73.21 109.918 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.462 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 23.1 mt-30 -52.66 -33.1 45.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 74.51 109.809 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.38 83.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 74.21 109.831 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.99 -33.39 57.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.36 -0.837 . . . . 74.04 109.66 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 8.8 m-80 -59.22 -47.91 83.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 75.05 110.643 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.6 ptm180 -69.26 -32.59 71.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.126 -0.984 . . . . 75.41 110.467 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.33 -41.83 69.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 74.11 110.019 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 1.046 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.0 -30.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.289 -0.882 . . . . 63.01 109.911 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.14 -49.27 78.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 63.12 110.252 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 16.8 ptt? -69.19 -31.21 69.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 71.12 109.825 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 101' ' ' MET . 37.3 t -72.53 -41.59 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.382 -0.823 . . . . 71.21 110.438 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' SER . 11.2 pt-20 -73.03 -19.96 61.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.164 -0.96 . . . . 74.15 110.393 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 15.8 ptmt -105.98 -14.09 15.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.122 -0.986 . . . . 63.41 109.838 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.6 t-20 -46.69 131.0 11.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.815 . . . . 73.34 110.523 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 34.1 mtpt -66.53 -44.88 81.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.28 -0.887 . . . . 65.02 110.044 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 23.6 m-20 -55.78 -44.07 77.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 65.33 110.14 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 111' ' ' TYR . 25.2 mm -73.72 -32.82 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.291 -0.88 . . . . 73.24 110.269 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.618 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -50.6 -32.11 17.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 61.31 109.91 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.618 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.1 m -68.91 -37.88 79.23 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.463 -0.773 . . . . 73.35 109.747 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 111' ' ' TYR . 9.8 mt -73.64 -41.7 62.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 64.33 110.119 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 36' ' ' LEU . 1.1 mt -83.71 -7.7 59.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 53.33 110.4 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.8 31.52 3.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 62.2 110.007 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 62.55 110.065 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.39 0.614 . . . . 65.04 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 76' ' ' SER . 11.6 mt -96.25 146.79 24.4 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.866 . . . . 71.44 110.196 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.44 137.18 54.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.566 -0.709 . . . . 75.31 110.551 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -124.73 161.55 26.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.467 -0.77 . . . . 64.11 109.885 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -160.31 162.79 33.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.965 . . . . 73.3 110.502 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.676 -1.37 . . . . 73.25 109.676 -179.85 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.823 HG21 ' CE ' ' A' ' 70' ' ' MET . 17.2 mm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.455 0.645 . . . . 44.44 110.452 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.75 152.98 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.469 -0.769 . . . . 65.2 109.709 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.543 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 3.9 p -129.93 147.37 51.68 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.058 -1.026 . . . . 71.41 110.621 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 65.1 p -99.98 133.79 43.84 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.457 -0.777 . . . . 73.41 109.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -118.45 124.41 47.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 61.13 110.42 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 70.54 109.626 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.502 ' NH1' ' HD2' ' A' ' 88' ' ' LYS . 8.7 ttm180 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.247 0.546 . . . . 75.11 110.121 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -96.4 140.15 31.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.255 -0.903 . . . . 73.14 110.764 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -113.55 148.96 35.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.421 -0.799 . . . . 62.45 109.571 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 t-160 -124.14 140.52 52.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.148 -0.97 . . . . 74.23 110.789 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 59' ' ' LYS . 95.8 m-85 -120.73 120.18 34.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.427 -0.795 . . . . 54.43 109.9 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.823 ' CE ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -135.47 142.78 45.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 75.23 110.368 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -149.97 148.24 28.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -0.869 . . . . 72.22 110.495 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 1.046 ' CE1' HG23 ' A' ' 11' ' ' VAL . 7.9 p90 -148.97 152.52 36.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.297 -0.877 . . . . 75.41 109.99 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' HD13 ' A' ' 82' ' ' LEU . 19.5 m80 -87.67 153.16 21.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 73.44 110.633 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 38' ' ' ALA . 59.7 t -123.77 132.01 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.45 -0.781 . . . . 74.4 109.668 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.36 119.18 34.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.085 -1.009 . . . . 72.44 110.633 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 36' ' ' LEU . 82.8 p -111.31 168.41 9.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.333 -0.855 . . . . 44.12 109.982 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -72.14 -13.94 61.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.905 . . . . 72.35 110.268 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -100.01 -28.65 12.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 75.02 110.512 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -175.69 -157.56 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.098 -1.001 . . . . 72.51 110.2 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 mt -135.31 144.6 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.394 -0.816 . . . . 73.31 109.928 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.51 157.73 45.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.167 -0.958 . . . . 54.44 110.745 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 12.1 tp -116.99 127.5 54.25 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 63.32 109.493 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 24.2 t -106.94 131.53 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.157 -0.964 . . . . 74.24 110.951 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -123.76 122.79 38.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.526 -0.734 . . . . 64.24 109.258 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.8 pp -134.2 149.7 51.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.993 -1.067 . . . . 74.25 111.167 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.33 134.33 52.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.586 -0.696 . . . . 63.15 109.247 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -116.01 152.26 33.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.961 -1.087 . . . . 64.24 110.724 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' ' NH1' ' A' ' 65' ' ' ARG . 22.5 ttpt -128.67 141.02 51.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.405 -0.809 . . . . 75.03 109.874 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 2.2 pp20? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 71.22 110.382 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.606 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 22.1 Cg_exo . . . . . 0 N--CA 1.482 0.846 0 N-CA-C 110.516 -0.609 . . . . 72.21 110.516 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.5 137.34 47.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 61.31 109.998 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.425 ' CE1' HD13 ' A' ' 85' ' ' LEU . 30.9 m-85 -60.66 135.6 57.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 74.13 110.291 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.1 pt -118.26 -14.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 72.41 109.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 26.4 m120 -156.84 129.79 7.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.422 -0.799 . . . . 63.22 109.738 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.638 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.24 124.41 10.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.165 -0.959 . . . . 62.24 110.534 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 p90 -147.41 150.89 35.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.359 -0.838 . . . . 74.31 109.997 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 14.5 p -119.4 144.46 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.997 . . . . 62.11 110.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.46 126.54 53.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.233 -0.917 . . . . 72.1 110.476 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -121.26 124.18 27.42 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.255 -0.903 . . . . 71.44 110.182 179.818 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.67 126.99 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.874 1.46 . . . . 72.31 110.323 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.99 -20.16 26.55 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.787 -1.325 . . . . 34.3 109.787 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 3.3 mt-10 -118.69 159.34 23.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.236 . . . . 65.21 110.2 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -79.26 146.35 33.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 72.21 109.932 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 23.0 ptt180 -62.67 138.14 58.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 71.12 110.452 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -109.44 133.36 53.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 73.14 110.065 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 115' ' ' LYS . 3.1 p90 -82.52 144.38 30.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.12 110.231 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD11 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -101.4 -28.62 12.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 64.54 110.102 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' LYS . 14.0 mt -125.02 -67.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.386 -0.821 . . . . 74.45 110.236 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.33 -0.856 . . . . 71.11 110.151 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.49 -1.444 . . . . 50.11 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -69.02 -28.78 66.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -1.127 . . . . 72.13 110.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.28 -45.74 87.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.948 . . . . 74.43 110.12 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.488 HG22 ' ND2' ' A' ' 8' ' ' ASN . 33.3 m -56.45 -50.35 71.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 51.4 110.057 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 58.6 mt-30 -56.25 -34.65 66.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.858 . . . . 33.5 109.881 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -46.31 71.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.294 -0.879 . . . . 73.32 109.848 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -35.03 58.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 71.01 109.932 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.488 ' ND2' HG22 ' A' ' 4' ' ' THR . 70.8 m-20 -56.62 -51.25 69.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 72.22 110.488 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -67.84 -31.27 70.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 74.52 110.447 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 13' ' ' MET . . . -69.3 -43.25 74.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 64.42 110.046 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.836 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -35.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.199 -0.938 . . . . 75.51 109.823 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.7 t -58.03 -51.68 68.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 62.34 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.543 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 25.4 ptm -64.59 -31.94 73.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.381 -0.824 . . . . 55.12 110.082 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 113' ' ' LEU . 37.6 t -75.37 -39.06 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.775 . . . . 61.3 111.338 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 12' ' ' SER . 15.6 pt-20 -78.23 -22.32 48.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.992 -1.068 . . . . 65.55 110.979 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -89.9 -15.93 31.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.923 -1.11 . . . . 75.21 109.821 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 36.0 t-20 -56.25 125.62 22.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 75.12 110.504 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -32.82 74.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 73.02 110.072 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 1.3 m-20 -59.52 -50.07 75.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.211 -0.931 . . . . 74.12 109.813 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -71.4 -32.54 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.237 -0.914 . . . . 72.54 109.578 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 24.5 ttp180 -53.24 -33.56 53.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.459 -0.775 . . . . 65.03 109.86 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -39.57 78.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 64.43 110.277 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HD1' ' A' ' 111' ' ' TYR . 12.4 mt -63.93 -45.45 89.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 71.23 109.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD12 ' CB ' ' A' ' 76' ' ' SER . 2.1 mm? -76.63 1.8 15.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 74.32 110.211 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 54.89 29.56 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 73.55 109.834 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' LEU . 4.6 m -58.56 -172.98 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.518 -0.739 . . . . 71.31 110.294 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -152.26 -169.74 3.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.241 -0.912 . . . . 62.14 110.308 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 2.1 m-20 175.68 94.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.403 -0.811 . . . . 73.34 110.126 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.79 176.67 20.5 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.669 -1.372 . . . . 63.12 109.669 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.425 ' H ' HG22 ' A' ' 30' ' ' ILE . 5.1 tt -74.17 -21.23 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -1.133 . . . . 75.4 110.113 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 t -85.02 -23.57 28.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.355 -0.84 . . . . 75.2 110.516 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.458 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -179.68 136.6 2.82 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.855 -1.298 . . . . 51.42 109.855 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HE2' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -119.58 145.58 46.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -1.073 . . . . 71.2 109.807 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -79.09 142.31 36.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.158 -0.964 . . . . 71.53 110.542 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 132.4 51.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.326 -0.859 . . . . 71.1 109.654 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 26' ' ' CYS . 15.4 mt -109.92 146.05 35.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.081 -1.012 . . . . 51.34 111.338 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 147.22 52.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.061 -0.718 . . . . 75.45 109.061 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.836 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -138.05 162.83 33.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.982 -1.074 . . . . 64.33 111.095 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -148.79 172.26 14.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.654 -0.654 . . . . 74.43 109.535 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.557 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -56.36 -116.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.18 -1.168 . . . . 73.13 110.18 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 43' ' ' ILE . 27.3 mt-10 -110.37 -137.83 0.37 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.245 . . . . 75.12 110.027 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.01 138.88 11.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 70.01 110.463 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -149.39 167.55 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.444 -0.785 . . . . 62.23 110.069 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 t -164.69 32.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.18 -0.95 . . . . 73.45 110.34 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -149.52 -156.83 0.76 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.313 -0.867 . . . . 74.34 110.294 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.73 143.98 32.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 70.33 110.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 55.13 -163.38 0.13 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 51.5 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.512 ' HA ' ' OD1' ' A' ' 51' ' ' ASN . 3.5 p90 -101.1 -5.13 26.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.371 -0.83 . . . . 74.03 110.12 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' TRP . 68.6 p -40.49 -39.39 1.01 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 54.31 110.68 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.72 94.09 0.15 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.159 -0.963 . . . . 70.54 110.361 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.512 ' OD1' ' HA ' ' A' ' 48' ' ' TRP . 3.3 p-10 -162.06 -170.2 2.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.333 -0.855 . . . . 74.0 110.057 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 123.3 69.4 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 71.03 110.19 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -68.03 160.12 49.99 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.974 1.513 . . . . 75.05 110.374 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.557 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 34.3 mm -80.98 136.52 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.826 . . . . 71.22 109.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.0 148.07 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.835 . . . . 74.12 110.381 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -127.74 151.43 49.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 71.22 110.081 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -114.61 145.14 42.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.332 -0.855 . . . . 65.1 110.649 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -136.7 127.33 27.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.925 . . . . 63.15 110.037 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 141.24 33.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 54.2 110.086 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -101.97 146.39 27.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.066 -1.021 . . . . 72.0 110.371 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 -168.46 2.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 61.24 110.278 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -63.29 -28.71 70.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 71.2 110.103 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -9.36 59.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 72.13 110.328 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.48 5.81 61.52 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.677 -1.369 . . . . 45.24 109.677 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 8.4 ttt180 -75.05 121.25 21.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 74.15 109.889 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -81.09 132.53 35.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 65.31 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -113.86 148.75 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 75.43 109.791 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 56' ' ' SER . 3.2 t-160 -117.49 142.92 46.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 65.2 110.393 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 41.2 m-85 -127.15 122.22 33.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -0.79 . . . . 52.3 109.808 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.24 130.35 46.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 73.11 110.468 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 ptt85 -129.96 140.46 50.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 74.45 110.014 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.3 p90 -150.92 169.5 21.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.293 -0.88 . . . . 74.54 110.002 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -111.43 155.62 22.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 74.31 110.522 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG22 ' CB ' ' A' ' 38' ' ' ALA . 41.5 t -124.11 139.8 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 73.11 109.671 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' HG12 ' A' ' 80' ' ' ILE . 3.3 tt0 -115.91 120.13 38.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.142 -0.974 . . . . 64.55 110.54 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.628 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.0 m -108.12 -178.27 3.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.364 -0.835 . . . . 63.13 109.854 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -13.5 59.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.93 . . . . 61.12 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -29.34 9.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.866 . . . . 74.11 110.41 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.88 -171.09 0.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.163 -0.961 . . . . 71.41 110.818 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.2 mp -116.3 141.66 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 74.45 109.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.39 157.44 27.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 54.14 110.457 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 103' ' ' VAL . 18.5 tp -113.16 128.85 56.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 64.52 109.661 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 103' ' ' VAL . 90.9 t -113.01 126.65 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 53.34 111.019 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 1.9 t-80 -124.04 130.93 53.38 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.082 -0.71 . . . . 74.41 109.082 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.8 pp -141.59 153.49 44.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.893 -1.129 . . . . 71.15 111.486 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 tt0 -123.05 135.48 54.44 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.257 -0.646 . . . . 71.42 109.257 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.33 154.05 48.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.998 -1.064 . . . . 74.35 110.915 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 97' ' ' ASP . 0.3 OUTLIER -134.55 144.51 48.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.53 -0.731 . . . . 73.43 109.77 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -85.75 139.86 30.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.149 -0.969 . . . . 71.05 110.211 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.403 ' HB2' ' OD1' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -109.87 150.46 28.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 74.14 110.662 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER 63.92 -79.64 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.534 -0.729 . . . . 64.03 110.915 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 21.1 tt0 168.95 124.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.03 -1.044 . . . . 71.31 110.11 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.6 t30 50.3 49.53 20.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.926 . . . . 64.1 110.662 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.86 -164.48 1.28 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 75.21 110.013 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -70.9 138.79 85.31 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.94 . . . . 65.22 110.23 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.67 146.84 89.51 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.054 1.555 . . . . 73.3 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.478 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . 80.7 m-20 -115.25 118.57 33.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 73.32 110.098 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE1' ' NH1' ' A' ' 9' ' ' ARG . 83.0 m-85 -80.01 136.06 36.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.906 . . . . 71.41 110.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -24.67 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.27 -0.893 . . . . 65.1 109.842 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.77 129.16 27.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 64.13 110.19 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.695 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -149.06 115.46 5.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 74.41 110.044 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 24.6 p90 -146.82 163.61 35.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -0.974 . . . . 73.34 110.164 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 82' ' ' LEU . 30.7 t -128.97 159.5 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.188 -0.945 . . . . 64.41 110.59 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -125.46 117.02 22.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 72.13 109.858 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.1 m -112.73 132.87 22.06 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.121 -0.987 . . . . 73.43 110.605 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 11.8 Cg_exo -65.45 131.63 28.65 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.065 1.561 . . . . 74.34 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.93 -19.05 32.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.797 -1.321 . . . . 61.43 109.797 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.01 168.95 9.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -1.184 . . . . 71.33 110.287 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -84.81 143.17 29.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 75.34 110.205 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.25 139.08 43.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 74.1 110.19 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.809 ' HD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.87 126.03 46.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 73.41 110.551 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.2 m-85 -86.55 143.52 27.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 72.25 110.025 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -102.47 -31.11 10.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.209 -0.932 . . . . 75.41 110.191 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 101' ' ' MET . 21.1 mt -121.57 -80.4 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.285 -0.884 . . . . 72.54 110.119 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.255 -0.903 . . . . 72.31 110.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.62 -1.392 . . . . 72.22 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -112.88 24.53 12.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.232 -1.157 . . . . 71.51 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.1 -34.75 68.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.949 . . . . 74.44 109.991 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 HG21 HH22 ' A' ' 50' ' ' ARG . 18.7 m -54.3 -48.28 71.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 70.33 110.221 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -33.14 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 72.44 110.134 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HB3' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -58.05 -40.95 82.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 61.34 110.026 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -34.3 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 73.32 109.897 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -58.75 -50.53 73.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.235 -0.915 . . . . 74.23 110.579 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 5.9 ptm85 -64.74 -39.02 92.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.146 -0.971 . . . . 74.02 110.354 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.76 -40.94 88.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.13 -0.981 . . . . 43.32 109.875 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.886 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -73.35 -36.53 49.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.085 -1.01 . . . . 43.21 110.092 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -53.04 -52.01 59.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 73.33 110.21 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.525 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptt? -68.49 -30.71 69.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.251 -0.905 . . . . 73.14 109.919 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG11 HG21 ' A' ' 83' ' ' VAL . 36.5 t -69.9 -49.16 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 75.33 110.404 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 12.5 pt-20 -66.64 -25.04 66.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 73.52 110.432 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -98.37 -16.94 19.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.086 -1.008 . . . . 72.22 109.958 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 13' ' ' MET . 1.7 t-20 -45.17 122.72 3.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 73.03 110.002 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -63.75 -26.23 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 74.15 110.566 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 10.7 m-20 -69.11 -45.49 70.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.24 -0.913 . . . . 73.45 110.861 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.494 HD12 HG11 ' A' ' 103' ' ' VAL . 19.4 mm -73.3 -35.96 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.165 -0.959 . . . . 73.44 110.675 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -33.15 58.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.187 -0.945 . . . . 65.15 110.468 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -38.71 74.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.224 -0.922 . . . . 45.23 110.264 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 111' ' ' TYR . 41.2 mt -72.41 -48.14 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.239 -0.913 . . . . 72.04 109.734 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -76.43 -7.2 54.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.538 -0.726 . . . . 61.34 110.131 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 59.46 39.32 22.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 75.34 110.221 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.07 179.89 0.12 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.228 -0.92 . . . . 75.21 110.102 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -138.78 172.41 12.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 71.53 110.53 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 34.2 t0 -179.26 78.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.433 -0.792 . . . . 55.21 109.792 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.71 165.64 24.75 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.94 -1.264 . . . . 75.11 109.94 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 tp -60.91 -15.43 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -1.075 . . . . 73.44 109.886 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 31' ' ' THR . 5.2 t -87.06 -23.27 25.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 70.31 110.234 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.13 129.1 1.26 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.827 -1.309 . . . . 70.21 109.827 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.07 135.68 50.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -1.122 . . . . 61.41 109.869 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' CD ' ' HA ' ' A' ' 26' ' ' CYS . 26.4 tt0 -85.0 143.08 29.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.93 . . . . 75.4 110.762 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -130.03 126.67 38.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.429 -0.795 . . . . 75.53 109.209 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 26' ' ' CYS . 8.8 mt -99.74 146.6 26.37 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.142 -0.974 . . . . 63.23 110.893 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.57 143.98 49.87 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.667 -0.646 . . . . 75.01 109.978 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.83 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -139.04 164.69 29.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 61.24 110.312 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD2' HD11 ' A' ' 43' ' ' ILE . 9.0 p90 -153.41 172.35 17.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.309 -0.87 . . . . 74.5 109.982 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . -55.35 -155.26 0.01 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.247 -1.141 . . . . 52.33 110.247 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.815 ' O ' HG23 ' A' ' 43' ' ' ILE . 6.6 pt-20 -85.35 -136.88 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.979 -1.307 . . . . 41.23 110.241 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -38.71 108.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 63.12 110.948 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.815 HG23 ' O ' ' A' ' 41' ' ' GLU . 1.6 pt -139.38 -176.19 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 75.31 109.976 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -66.84 -11.22 54.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 74.41 110.227 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 4.0 t-20 56.95 101.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 64.05 110.364 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 168.92 -158.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.211 -0.931 . . . . 74.41 110.119 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -55.82 -163.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 71.02 109.845 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ARG . 79.0 m95 -44.46 -63.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.183 -0.948 . . . . 75.23 109.935 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 48' ' ' TRP . 26.7 p 42.54 -94.55 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 71.52 110.372 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 58.25 99.46 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.157 -0.964 . . . . 64.24 110.237 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -110.09 -37.79 5.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 64.44 110.166 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.3 143.72 26.59 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 74.23 110.131 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -73.4 159.87 45.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.036 1.546 . . . . 63.11 110.699 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 ' HA3' ' A' ' 40' ' ' GLY . 25.7 mm -83.31 132.68 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.429 -0.795 . . . . 60.21 109.98 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.29 150.67 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 70.0 110.419 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -129.28 150.47 50.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 61.15 110.151 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 74.8 p -111.36 143.21 42.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.248 -0.907 . . . . 72.43 110.381 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.1 ptpt -129.23 131.94 47.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 62.53 109.934 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -139.87 137.44 34.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.139 -0.975 . . . . 75.32 110.186 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -104.23 141.96 35.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 71.21 110.379 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.73 -170.21 2.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.238 -0.914 . . . . 51.03 110.088 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -64.86 -12.98 54.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 71.34 110.203 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -95.4 -9.64 32.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 64.04 110.216 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.51 -4.2 66.45 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.671 -1.372 . . . . 61.24 109.671 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.22 121.24 16.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -1.199 . . . . 74.32 110.18 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 m -86.21 133.71 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 62.33 110.231 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 28.7 m170 -108.74 140.91 41.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.846 . . . . 72.42 110.222 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.6 t60 -117.46 138.95 51.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 73.23 110.137 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 92.1 m-85 -122.37 130.47 53.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 73.52 110.269 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.529 ' HE3' HG21 ' A' ' 54' ' ' ILE . 3.2 ttt -136.85 139.5 41.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 62.34 110.12 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -144.67 150.91 38.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 75.34 110.241 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.886 ' CE1' HG23 ' A' ' 11' ' ' VAL . 13.8 p90 -152.33 154.26 35.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.321 -0.862 . . . . 65.53 109.946 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -91.94 157.07 17.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 73.22 110.371 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 t -132.54 135.67 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 65.05 109.804 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 80' ' ' ILE . 5.0 tt0 -120.47 126.47 50.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.162 -0.961 . . . . 75.53 110.623 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 10.9 p -116.67 176.29 5.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 33.43 109.952 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -78.93 -16.42 57.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 71.43 110.215 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' LYS . 1.1 mttm -99.07 -24.91 14.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 71.34 110.163 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 177.05 -179.81 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.308 -0.87 . . . . 71.24 110.089 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.593 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.1 mp -115.83 144.7 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 71.13 110.245 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.94 157.85 41.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 24.35 110.443 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -113.18 136.64 52.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 71.45 109.164 179.614 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.709 HG21 HG11 ' A' ' 14' ' ' VAL . 55.5 t -124.44 131.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 63.11 111.218 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.8 131.14 47.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.55 -0.719 . . . . 63.0 109.076 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 72' ' ' PHE . 2.2 pp -126.0 151.67 46.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.048 . . . . 54.35 111.161 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -131.34 131.75 43.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.577 -0.702 . . . . 61.12 109.463 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 51.11 110.748 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -112.56 144.59 41.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.45 -0.782 . . . . 73.05 109.91 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -85.96 138.32 32.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 64.43 110.412 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.35 133.93 52.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.384 -0.823 . . . . 74.24 109.901 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER 63.09 -140.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.16 -0.962 . . . . 75.2 109.717 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 5.1 pt20 -54.13 -165.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 64.52 110.239 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 93' ' ' ASN . 1.9 p-10 -89.97 30.9 1.01 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 65.21 110.316 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -160.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.224 -0.923 . . . . 65.12 110.14 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.36 139.58 81.65 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.322 -0.861 . . . . 71.2 110.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.584 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 48.4 Cg_endo -78.56 159.13 28.77 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 123.984 1.518 . . . . 74.11 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -101.55 123.61 45.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.956 . . . . 72.3 110.093 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 22.8 m-85 -65.72 124.62 22.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.123 -0.986 . . . . 74.11 110.144 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.06 -18.84 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.235 -0.916 . . . . 60.45 110.363 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.09 128.33 16.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 74.22 110.213 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.628 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -149.95 130.63 14.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 60.15 110.212 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -147.4 157.09 43.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 73.55 109.946 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 p -121.46 153.04 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 72.51 110.538 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.06 116.08 22.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.297 -0.877 . . . . 70.4 110.242 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.8 p -121.0 130.84 24.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.167 -0.958 . . . . 72.25 110.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.8 Cg_exo -63.01 132.09 35.37 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.931 1.49 . . . . 54.25 110.642 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.69 -20.3 24.42 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.991 -1.243 . . . . 55.33 109.991 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 105' ' ' VAL . 13.9 mm-40 -118.8 158.37 25.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.075 -1.25 . . . . 71.02 110.232 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.95 147.3 31.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.233 -0.917 . . . . 73.32 109.927 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 142.11 55.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 74.4 110.32 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -122.73 128.64 50.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.863 . . . . 71.43 109.965 179.767 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 33.4 m-85 -74.82 140.3 43.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.257 -0.902 . . . . 74.35 110.284 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -98.09 -29.63 13.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 73.23 110.067 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 101' ' ' MET . 16.5 mt -119.65 -49.36 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 75.53 110.006 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 4.5 tttm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.323 -0.861 . . . . 40.35 110.288 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.539 -1.425 . . . . 43.3 109.539 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 64.32 -70.27 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.218 -1.166 . . . . 75.43 110.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 1' ' ' GLY . 1.1 t0 -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 65.3 110.011 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.0 m -55.78 -52.28 64.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 71.33 109.525 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.75 -30.41 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.295 -0.878 . . . . 61.44 109.075 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 2.6 tt -55.93 -44.67 78.56 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 73.21 109.658 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -76.75 -33.25 58.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.402 -0.812 . . . . 74.15 109.731 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 4' ' ' THR . 3.1 m-80 -51.59 -51.78 52.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 73.43 110.189 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -63.03 -31.97 73.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 74.44 109.88 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.14 -37.51 66.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 72.34 110.093 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -30.34 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.3 -0.875 . . . . 63.11 109.88 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -59.68 -49.6 77.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 64.42 110.303 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.02 -29.89 67.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 53.41 110.203 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 83' ' ' VAL . 34.8 t -75.02 -41.95 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.164 -0.96 . . . . 55.25 110.471 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -74.31 -21.11 59.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.898 . . . . 74.22 110.589 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -100.66 -15.33 17.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 72.33 110.105 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.64 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.1 t30 -44.95 130.61 7.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 73.02 110.537 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -66.65 -42.51 86.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.398 -0.814 . . . . 74.11 109.935 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.78 -49.39 77.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.559 -0.713 . . . . 71.52 110.354 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 103' ' ' VAL . 46.0 mm -67.54 -35.87 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 71.14 109.991 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.05 -39.93 60.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.193 -0.942 . . . . 74.23 109.394 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -65.86 -44.5 85.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.425 -0.797 . . . . 74.13 109.46 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.0 mt -63.01 -41.53 99.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.518 -0.738 . . . . 71.44 109.703 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -89.2 -10.01 48.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.341 -0.849 . . . . 72.22 110.17 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.2 mt-30 60.85 29.62 19.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 65.22 110.198 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 8.6 m -82.5 -166.12 1.21 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 64.13 110.087 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.9 168.37 17.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.174 -0.954 . . . . 72.13 110.106 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.07 89.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 73.44 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -160.42 165.15 34.84 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.556 -1.418 . . . . 65.34 109.556 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.52 -27.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.382 -1.069 . . . . 65.34 110.199 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 31' ' ' THR . 6.6 t -83.76 -15.54 48.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.284 -0.885 . . . . 72.43 110.485 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.98 121.07 0.86 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.826 -1.31 . . . . 52.31 109.826 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -117.34 121.71 41.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.265 -1.138 . . . . 74.22 110.107 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -73.12 142.98 47.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.353 -0.842 . . . . 52.14 110.188 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 31.2 tpt180 -112.63 114.05 26.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 63.44 109.996 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 15' ' ' GLU . 35.8 mt -110.23 145.45 37.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.398 -0.813 . . . . 72.23 109.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.38 130.47 56.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.164 -0.96 . . . . 71.51 110.521 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.81 163.17 21.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 71.14 110.012 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.7 p90 -152.35 157.72 41.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 72.05 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -57.48 -158.47 0.02 OUTLIER Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.578 -1.409 . . . . 73.35 109.578 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 15.0 pt-20 -84.73 -158.75 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -1.184 . . . . 73.4 110.241 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 3.1 tp 59.1 125.03 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.837 . . . . 75.41 110.166 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG23 ' C ' ' A' ' 42' ' ' LEU . 1.4 pp -145.66 -177.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 53.54 110.423 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 43' ' ' ILE . 85.9 m -164.11 -39.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.438 -0.789 . . . . 74.11 109.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 44.83 42.69 6.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 65.53 110.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -142.41 23.76 1.96 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 73.51 110.061 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 57.99 179.37 0.06 Allowed 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.223 0.535 . . . . 65.43 110.19 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 52.35 55.26 9.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.234 -0.916 . . . . 74.25 110.05 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ARG . 32.1 p -120.7 115.8 24.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 65.04 110.128 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -57.61 -161.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.164 -0.96 . . . . 72.13 110.258 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -125.08 118.32 25.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.223 -0.923 . . . . 72.14 110.432 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -112.64 130.24 23.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 71.15 109.937 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -69.99 159.75 52.1 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 123.958 1.504 . . . . 75.13 110.594 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -79.09 127.66 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 73.43 110.271 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' O ' ' HE1' ' A' ' 70' ' ' MET . 14.4 p -101.22 153.07 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 75.14 110.109 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 151.57 39.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.912 . . . . 72.0 110.374 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -99.74 149.38 23.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 62.44 110.031 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 3.8 ptmt -125.32 134.72 52.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.194 -0.941 . . . . 72.5 110.63 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.68 126.13 13.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 72.32 110.221 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -107.43 136.72 46.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 73.4 110.203 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.52 -175.65 4.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 52.35 110.454 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.51 -23.01 47.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 72.42 109.96 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.46 -11.12 59.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.109 -0.994 . . . . 71.34 110.392 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 4.98 85.41 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.425 -1.47 . . . . 40.42 109.425 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -76.13 125.93 30.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -1.123 . . . . 53.35 110.11 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 9.1 m -78.52 137.25 37.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.223 -0.923 . . . . 64.14 110.254 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -119.32 140.44 50.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.188 -0.945 . . . . 75.2 110.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 6.6 t-80 -119.07 142.4 47.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 54.54 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 13.7 m-85 -127.44 123.96 37.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.241 -0.912 . . . . 74.43 110.086 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.455 ' HE1' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.8 141.0 48.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 63.3 110.047 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 14.7 ptt180 -149.94 144.73 26.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.195 -0.941 . . . . 70.44 110.39 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.583 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 7.0 p90 -154.86 151.73 28.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 64.22 109.915 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CG ' HD23 ' A' ' 82' ' ' LEU . 74.2 m-70 -89.8 157.14 18.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.976 . . . . 73.02 110.575 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 38' ' ' ALA . 4.5 t -125.96 133.39 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 64.44 109.921 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.89 121.5 44.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 52.21 110.34 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -115.35 162.55 16.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 72.53 110.121 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -69.27 -13.87 62.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 75.33 110.221 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 3.4 mmtm -98.86 -28.82 13.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 70.25 110.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -178.58 -161.12 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.985 . . . . 72.52 110.394 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.98 141.48 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.309 -0.87 . . . . 55.41 110.18 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 105' ' ' VAL . . . -135.89 157.38 46.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 32.35 110.389 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.1 tm? -116.4 132.29 56.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 54.25 109.584 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG21 HG11 ' A' ' 14' ' ' VAL . 77.7 t -112.84 125.74 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.144 -0.972 . . . . 75.25 111.118 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 6.3 t-160 -119.94 127.79 53.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.51 -0.744 . . . . 74.1 109.422 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.5 pp -129.16 149.59 50.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.036 -1.04 . . . . 72.14 110.867 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' OE2' HD11 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -122.94 130.0 52.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.515 -0.741 . . . . 71.14 109.377 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -114.19 138.0 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.038 -1.039 . . . . 65.31 110.565 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 99' ' ' ILE . 2.7 ttpt -121.82 139.66 53.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.478 -0.764 . . . . 65.32 109.886 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -104.03 131.04 51.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.257 -0.902 . . . . 70.13 109.95 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' GLN . 76.6 p -101.24 123.51 45.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.211 -0.931 . . . . 72.51 110.808 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 1.7 tmtm? 51.64 -83.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.424 -0.798 . . . . 73.33 110.839 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.7 tt0 -164.02 68.93 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.72 -1.238 . . . . 52.23 110.543 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.44 78.48 1.14 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 52.2 110.037 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.9 t80 46.78 -138.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 70.12 109.916 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.54 158.19 86.75 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.55 110.059 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -62.8 165.73 15.5 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 O-C-N 124.084 1.571 . . . . 73.12 110.264 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.1 m-20 -110.66 142.65 42.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 72.44 110.243 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 85' ' ' LEU . 42.4 m-85 -58.9 128.69 38.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.297 -0.877 . . . . 71.04 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 88' ' ' LYS . 6.7 pt -117.9 -23.13 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.441 -0.787 . . . . 72.11 109.818 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 78.5 m-20 -137.57 130.05 29.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.838 . . . . 63.41 109.887 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.953 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.5 122.8 9.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.011 . . . . 71.41 110.61 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 33.5 p90 -147.65 158.82 44.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 64.35 110.031 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 20' ' ' ILE . 12.0 p -122.44 151.84 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.13 -0.981 . . . . 72.45 110.409 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.89 121.62 32.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.158 -0.964 . . . . 72.01 110.284 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.495 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.2 m -114.39 133.47 22.45 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 44.35 110.086 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 19.6 Cg_exo -60.88 127.16 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.069 1.563 . . . . 63.51 110.932 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.23 -18.01 30.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.422 -1.071 . . . . 54.24 110.422 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 47.8 mt-10 -118.51 162.24 18.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.278 . . . . 73.42 110.774 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 145.51 38.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.437 -0.79 . . . . 75.2 110.096 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.4 ptt180 -76.78 140.97 40.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 73.41 110.331 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.544 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -116.44 127.89 55.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 71.23 110.035 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 115' ' ' LYS . 25.2 p90 -75.81 138.27 41.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.143 -0.973 . . . . 75.33 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.64 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.58 -35.51 12.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 50.21 109.99 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.953 HD12 ' HB2' ' A' ' 101' ' ' MET . 92.3 mt -117.5 -69.38 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 74.23 110.084 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 73.33 110.219 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.434 -1.467 . . . . 62.23 109.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -56.08 -37.38 69.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -1.139 . . . . 74.34 110.315 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.7 p30 -59.18 -25.94 64.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 74.14 110.042 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 87.4 m -59.01 -31.97 69.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 74.2 109.843 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -70.55 -33.79 71.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 72.21 110.022 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.65 -40.05 95.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 72.45 109.957 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.03 -36.85 58.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 73.42 109.613 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -56.27 -50.68 70.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 73.34 110.122 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.2 ptm85 -68.34 -35.89 78.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.343 -0.848 . . . . 74.43 110.135 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.79 -43.82 78.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 62.1 110.093 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -67.79 -32.38 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 70.14 109.815 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 20.9 t -63.51 -48.73 76.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 75.33 110.108 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 7.3 ptt? -68.44 -31.54 70.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.935 . . . . 65.53 110.021 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 101' ' ' MET . 52.3 t -74.78 -40.41 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 64.32 110.838 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 12' ' ' SER . 23.1 pt-20 -76.69 -19.29 57.88 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.143 -0.973 . . . . 74.4 110.76 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 8.1 pttp -103.67 -14.52 16.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 74.45 110.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.429 ' ND2' HD11 ' A' ' 113' ' ' LEU . 1.7 t-20 -48.03 131.78 15.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 64.44 110.295 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.23 -44.62 83.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.244 -0.91 . . . . 75.43 109.996 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 54.6 m-20 -56.92 -46.34 82.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.454 -0.779 . . . . 71.23 110.111 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 34.9 mm -70.83 -34.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.218 -0.926 . . . . 70.32 109.788 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 6.3 ttp180 -53.19 -34.67 57.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.408 -0.808 . . . . 63.31 110.17 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.95 . . . . 73.4 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 111' ' ' TYR . 8.7 mt -73.59 -43.84 58.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 75.22 110.026 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -86.14 -4.35 59.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 72.15 110.195 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 54.69 39.5 31.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.182 -0.948 . . . . 71.54 109.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 27' ' ' ASP . 5.8 t -87.44 165.93 15.18 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.422 -0.798 . . . . 64.01 110.075 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -123.39 179.4 4.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.309 -0.869 . . . . 72.03 110.153 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 174.1 84.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.121 -0.987 . . . . 70.42 110.21 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -152.55 158.62 27.96 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.645 -1.382 . . . . 75.42 109.645 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' C ' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.39 -26.69 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -1.08 . . . . 71.41 110.169 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 31' ' ' THR . 2.6 p -81.79 -23.55 36.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.311 -0.868 . . . . 53.44 109.855 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.73 123.51 1.1 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.493 -1.443 . . . . 31.23 109.493 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.6 mttm -119.15 121.27 39.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 75.15 110.37 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 4.2 tp10 -80.23 143.08 34.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 71.44 109.759 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 118.03 29.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.133 -0.979 . . . . 64.35 110.662 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 15' ' ' GLU . 45.8 mt -109.81 145.71 36.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 74.3 110.012 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -120.28 143.85 48.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 73.25 110.259 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.924 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -141.19 149.71 41.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.43 -0.794 . . . . 63.13 110.285 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -147.99 154.89 40.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.235 -0.916 . . . . 73.14 110.126 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -159.79 3.17 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.014 -1.234 . . . . 74.43 110.014 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' HD12 ' A' ' 42' ' ' LEU . 14.6 mm-40 -130.42 -150.66 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -1.097 . . . . 72.24 110.038 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' ILE . 2.2 tp -161.05 -167.55 1.84 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.145 -0.972 . . . . 72.51 110.488 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 19.1 pt -51.87 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.393 -0.817 . . . . 72.44 110.539 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -60.18 2.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.343 -0.848 . . . . 72.43 110.106 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -130.84 114.42 15.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.273 -0.892 . . . . 51.4 109.959 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 49' ' ' THR . 17.7 p-10 -108.65 -165.68 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.2 -0.937 . . . . 53.32 110.223 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -155.55 0.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.198 -0.939 . . . . 73.2 110.268 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -72.68 -8.31 54.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 75.45 110.235 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -77.93 155.37 30.91 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.282 -0.886 . . . . 73.01 109.77 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.58 38.69 0.06 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.059 -1.026 . . . . 71.52 110.51 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -141.73 51.16 1.54 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.202 -0.936 . . . . 74.54 110.029 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 24.4 mmt180 -86.8 165.17 33.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.274 -0.891 . . . . 73.52 110.083 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 52' ' ' ARG . 28.6 Cg_endo -67.02 160.46 47.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 124.071 1.564 . . . . 71.44 110.222 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 54' ' ' ILE . 16.8 mm -78.3 128.76 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 70.3 110.215 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -96.77 149.7 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 73.11 110.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m -129.66 139.75 51.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 75.31 110.62 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 20.8 p -102.91 149.72 24.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.392 -0.817 . . . . 63.23 110.007 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -129.21 132.54 47.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 74.11 110.735 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -138.24 128.14 25.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.297 -0.877 . . . . 73.31 109.769 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -88.23 142.21 27.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.194 -0.941 . . . . 74.13 110.67 -179.535 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 41.1 p30 -95.65 -176.8 3.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.36 -0.838 . . . . 55.34 110.12 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -14.45 11.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 65.24 110.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.3 -5.6 56.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 71.13 110.256 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.57 2.71 86.94 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.435 -1.466 . . . . 72.54 109.435 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 9.7 tpp180 -83.77 129.84 34.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 72.33 110.091 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.3 m -77.88 138.74 39.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 65.54 110.387 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.6 m-70 -113.83 138.7 49.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 74.22 109.81 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' THR . 2.9 m-70 -117.95 141.22 48.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.02 -1.05 . . . . 74.1 110.931 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE1' ' CD ' ' A' ' 86' ' ' GLU . 94.8 m-85 -121.34 127.28 51.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.375 -0.828 . . . . 74.44 109.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 27.8 ttm -149.09 130.5 14.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 73.44 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' HB3' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.02 148.65 35.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.356 -0.84 . . . . 72.21 109.948 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 5.6 p90 -147.68 162.3 39.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 74.22 110.128 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -95.62 159.2 15.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 52.45 110.27 -179.582 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 38' ' ' ALA . 9.1 t -127.3 135.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.403 -0.811 . . . . 62.52 109.959 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.05 120.02 40.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 63.15 110.273 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 36' ' ' LEU . 23.4 m -112.83 172.39 6.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 64.43 110.131 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -19.47 53.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 61.34 110.098 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 2.1 mttt -94.67 -26.75 16.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 74.35 109.932 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 179.74 -167.74 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.335 -0.853 . . . . 71.12 110.01 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.97 138.84 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 74.12 110.424 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.49 155.94 44.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 70.42 109.971 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 83' ' ' VAL . 5.9 tt -114.86 134.29 55.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.883 . . . . 71.05 109.901 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.81 ' N ' HD23 ' A' ' 82' ' ' LEU . 65.7 t -117.72 123.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 64.13 110.685 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 4.2 t-80 -120.88 128.9 53.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 72.52 109.286 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 98' ' ' PHE . 3.4 pp -134.95 148.24 49.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.07 -1.019 . . . . 65.21 111.246 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.488 ' CD ' ' CE1' ' A' ' 69' ' ' TYR . 2.1 tt0 -116.07 133.94 55.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.589 -0.694 . . . . 71.23 109.163 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -115.68 150.31 36.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 53.33 110.939 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -132.8 139.42 47.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.499 -0.751 . . . . 64.41 109.671 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -87.87 139.1 30.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 71.22 110.471 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -116.83 132.25 56.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 74.21 110.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.42 -161.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.258 -0.902 . . . . 64.33 110.316 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 2.8 tt0 -120.42 23.26 10.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 71.53 110.178 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 42.74 3.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -0.916 . . . . 73.53 110.267 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -171.71 -176.05 1.68 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 74.33 110.028 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -113.78 156.53 43.59 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.243 -0.911 . . . . 74.23 109.906 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -44.93 144.65 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 123.855 1.45 . . . . 63.43 110.048 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -122.55 148.57 45.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.126 -0.984 . . . . 63.44 110.097 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.745 ' CD2' HD13 ' A' ' 85' ' ' LEU . 23.4 m-85 -68.76 131.91 45.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 73.11 110.401 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' HB3' ' A' ' 86' ' ' GLU . 2.9 pt -114.65 -16.58 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.909 . . . . 75.11 109.669 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 4.0 m120 -149.76 129.45 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.379 -0.825 . . . . 73.33 109.498 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.82 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.67 118.12 6.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.998 -1.064 . . . . 72.52 110.898 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 9.6 p90 -147.44 155.2 41.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.397 -0.814 . . . . 62.24 109.656 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' LEU . 8.7 p -124.34 149.5 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 61.3 110.718 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 114.97 29.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.373 -0.829 . . . . 65.5 109.597 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.17 127.1 27.41 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.87 . . . . 65.03 110.38 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -63.34 126.57 18.02 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.864 1.455 . . . . 75.53 110.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.35 -19.62 26.55 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.979 -1.248 . . . . 73.11 109.979 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -116.54 169.95 8.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.022 -1.281 . . . . 74.33 110.653 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -85.68 139.8 31.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 73.11 110.146 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.06 131.03 49.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.311 -0.868 . . . . 61.34 110.013 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ASP . 11.5 t80 -108.56 133.16 53.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.17 -0.956 . . . . 53.22 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 53.1 m-85 -88.86 134.12 34.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.327 -0.858 . . . . 71.25 110.399 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.429 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.24 -27.71 19.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.157 -0.964 . . . . 63.41 109.734 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 114' ' ' ILE . 56.5 mt -133.64 -52.04 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.331 -0.856 . . . . 72.25 110.145 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 73.33 110.259 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.491 -1.444 . . . . 73.54 109.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -85.94 3.5 41.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -1.19 . . . . 72.4 110.167 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.62 -29.79 69.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 71.2 110.034 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -54.64 -37.14 65.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 64.22 109.9 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -59.78 -32.31 70.49 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.349 -0.844 . . . . 74.31 109.851 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.7 tp -60.21 -42.21 94.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 71.24 109.746 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.2 -33.38 59.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.86 . . . . 74.53 109.448 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.31 -44.91 72.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.433 -0.792 . . . . 62.21 110.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 8.8 ptm180 -70.76 -31.93 68.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 73.44 110.22 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.66 -42.2 78.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.089 -1.007 . . . . 72.5 109.634 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.997 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.26 -31.65 44.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.316 -0.865 . . . . 64.31 109.874 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -62.37 -50.73 70.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 63.45 110.487 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.49 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 12.3 ptt? -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.132 -0.98 . . . . 51.54 110.016 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 113' ' ' LEU . 55.5 t -74.66 -38.8 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.364 -0.835 . . . . 74.23 110.464 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 12' ' ' SER . 10.0 pt-20 -74.61 -25.61 59.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.047 -1.033 . . . . 62.54 110.452 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.5 OUTLIER -98.07 -18.03 18.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 62.2 110.039 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.4 125.32 4.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.853 . . . . 62.04 110.182 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -64.4 -38.5 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 75.43 110.01 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.527 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 6.0 m-20 -62.08 -40.51 96.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.268 -0.895 . . . . 73.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 24' ' ' LEU . 49.2 mm -75.81 -33.96 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 71.34 109.83 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 20.3 ttp85 -51.88 -40.62 60.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 74.41 109.949 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.92 77.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 73.13 110.201 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD22 ' OE2' ' A' ' 108' ' ' GLU . 12.6 mt -73.38 -40.7 64.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 74.51 110.226 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 76' ' ' SER . 1.2 mt -87.66 -9.46 54.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 55.5 110.413 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ARG . 36.4 mt-30 57.33 38.32 28.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 75.32 109.896 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' SG ' ' HG3' ' A' ' 21' ' ' ARG . 19.5 p -92.97 157.62 16.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.855 . . . . 75.53 110.222 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.5 173.16 8.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 64.45 110.397 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.45 79.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.881 . . . . 72.12 110.113 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.24 173.95 22.2 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.541 -1.423 . . . . 62.41 109.541 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 tp -68.76 -16.66 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -1.178 . . . . 74.35 110.227 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -109.15 4.12 22.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.161 -0.962 . . . . 64.41 110.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.15 117.44 0.62 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.541 -1.424 . . . . 73.11 109.541 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.77 136.86 54.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.208 -1.172 . . . . 71.24 110.404 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -89.02 143.32 26.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.247 -0.908 . . . . 61.42 110.315 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 119.17 35.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 72.4 110.644 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.88 146.37 35.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 61.04 109.955 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 75' ' ' GLU . 1.0 OUTLIER -121.32 139.33 53.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.189 -0.944 . . . . 70.34 110.558 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.997 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.13 160.51 35.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.468 -0.77 . . . . 72.5 110.206 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' HB2' HD12 ' A' ' 42' ' ' LEU . 4.5 p90 -153.17 148.79 27.32 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.249 -0.907 . . . . 75.21 110.067 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 -134.18 0.06 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.905 -1.278 . . . . 62.13 109.905 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.5 pt-20 -58.21 148.15 27.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.081 . . . . 72.33 110.617 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HB2' ' A' ' 39' ' ' TYR . 1.2 mt -179.62 98.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 70.2 109.915 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.3 pt -61.84 -172.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.362 -0.836 . . . . 72.33 110.586 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m -72.46 -58.47 3.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 74.43 109.958 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.72 91.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 75.42 109.927 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -86.02 178.88 7.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 70.25 110.557 -179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.7 mmtp 51.91 -168.37 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.395 -0.816 . . . . 42.55 110.424 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' HG23 ' A' ' 49' ' ' THR . 9.8 m0 41.22 27.29 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.421 -0.8 . . . . 71.51 110.427 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 48' ' ' TRP . 11.3 p -152.58 147.28 25.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 70.34 110.163 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' ASN . 5.4 tpt180 -101.55 75.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -0.912 . . . . 63.44 110.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -41.75 119.98 1.41 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.369 -0.832 . . . . 62.44 110.46 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' CB ' ' HD2' ' A' ' 53' ' ' PRO . 4.6 mtt180 -76.97 169.19 22.43 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 72.11 110.287 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -60.98 161.4 22.35 Favored 'Trans proline' 0 C--N 1.302 -1.887 0 O-C-N 124.207 1.635 . . . . 63.23 110.76 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 54' ' ' ILE . 17.8 mm -77.53 128.75 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.513 -0.742 . . . . 35.33 110.187 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -103.8 153.22 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 71.24 110.357 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 m -119.92 150.29 40.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 50.02 110.286 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 41.2 p -99.43 141.69 31.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.257 -0.902 . . . . 62.13 109.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -110.22 125.39 53.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.206 -0.934 . . . . 64.41 110.357 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 12.7 mttt -143.32 137.22 28.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 61.21 109.984 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -111.43 145.96 38.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 74.21 110.547 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.11 -164.08 1.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.378 -0.826 . . . . 73.44 110.263 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -25.33 65.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.848 . . . . 74.24 110.478 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -80.48 -11.56 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.196 -0.94 . . . . 74.43 110.508 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.08 13.15 59.31 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.752 -1.339 . . . . 73.43 109.752 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -87.12 121.43 29.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -1.164 . . . . 72.13 109.849 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.506 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 25.6 m -82.92 136.78 34.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.161 -0.962 . . . . 72.15 110.393 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -121.39 149.38 43.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 54.55 109.786 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 57' ' ' THR . 4.6 m-70 -115.95 138.41 51.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 73.25 110.105 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 33.5 m-85 -111.26 121.71 45.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 73.44 110.613 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.3 ttm -133.92 130.38 37.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 74.11 109.809 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.9 OUTLIER -140.04 154.22 47.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.15 -0.968 . . . . 64.01 110.634 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HE1' HG23 ' A' ' 11' ' ' VAL . 12.0 p90 -159.21 169.75 23.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.391 -0.818 . . . . 75.4 109.737 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -108.56 152.0 25.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 74.23 110.26 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.4 t -123.87 130.27 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.368 -0.832 . . . . 73.55 109.74 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.493 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 1.7 tt0 -110.25 117.72 34.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 72.11 110.375 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.541 ' CB ' HD22 ' A' ' 24' ' ' LEU . 6.5 p -101.49 175.79 5.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.523 -0.735 . . . . 71.32 109.907 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -13.33 59.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 72.14 110.001 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 -25.24 12.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 73.04 110.513 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -173.01 -155.11 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 70.22 110.776 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.4 mt -135.03 143.1 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 62.34 109.856 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.34 157.84 45.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 43.44 110.626 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -116.38 138.38 51.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 72.13 109.934 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 103' ' ' VAL . 92.1 t -117.23 130.22 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 61.53 110.793 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 3.3 t60 -126.93 118.64 24.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 75.45 109.69 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.635 HD13 ' CE2' ' A' ' 98' ' ' PHE . 2.0 pp -128.39 151.82 48.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 72.03 110.858 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.42 137.6 53.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.826 . . . . 75.11 109.528 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.49 154.37 37.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.051 -1.031 . . . . 72.44 111.202 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -125.69 146.41 49.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.636 -0.665 . . . . 54.34 109.674 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.506 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -84.5 140.35 31.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.063 -1.023 . . . . 55.01 110.84 -179.095 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -95.58 151.36 19.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 72.23 109.829 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -38.36 -65.7 0.32 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.439 -0.788 . . . . 70.34 110.524 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -177.79 55.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.205 -0.934 . . . . 72.43 110.171 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 94' ' ' TYR . 9.0 m120 -123.19 -14.07 7.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 74.12 110.334 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 93' ' ' ASN . 4.0 t80 -179.41 -169.18 0.14 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 75.43 110.445 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -78.27 158.54 76.7 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.424 -0.798 . . . . 54.3 110.041 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.61 160.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.939 1.494 . . . . 71.41 109.994 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -129.17 139.32 51.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 73.22 110.529 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.635 ' CE2' HD13 ' A' ' 85' ' ' LEU . 18.0 m-85 -69.4 139.81 54.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 73.24 109.99 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.457 HG21 ' CD ' ' A' ' 88' ' ' LYS . 1.7 pt -120.89 -17.12 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.266 -0.896 . . . . 64.01 110.033 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 6.6 m120 -142.19 129.28 20.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 64.41 109.666 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.9 114.82 5.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.085 -1.009 . . . . 73.34 110.671 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 13.6 p90 -147.28 158.23 43.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.89 . . . . 75.1 109.919 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 83' ' ' VAL . 88.8 t -129.82 143.16 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.108 -0.995 . . . . 73.42 110.582 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.04 115.25 27.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.348 -0.845 . . . . 65.52 109.922 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.89 115.75 54.8 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 73.33 110.156 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -58.46 127.0 23.06 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.872 1.459 . . . . 74.42 110.305 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.28 -15.57 49.04 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.423 . . . . 43.5 109.544 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' OE2' HD22 ' A' ' 23' ' ' LEU . 5.1 mm-40 -117.95 163.32 16.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.183 -1.187 . . . . 74.2 110.29 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -80.27 150.28 30.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.222 -0.924 . . . . 64.42 110.221 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 123.34 18.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.289 -0.882 . . . . 61.52 110.423 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -106.45 128.74 54.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 70.33 109.799 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 21.9 p90 -91.82 132.84 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 75.21 110.547 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.56 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -86.35 -31.5 21.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 54.05 109.941 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 101' ' ' MET . 96.4 mt -131.94 -46.46 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 63.21 109.944 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.85 . . . . 60.24 110.184 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.54 -1.424 . . . . 62.23 109.54 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' OE1' ' A' ' 5' ' ' GLN . 86.9 p -133.23 13.96 4.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -1.145 . . . . 74.34 110.102 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -56.5 -35.56 68.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.239 -0.913 . . . . 74.14 110.159 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.9 m -65.09 -44.95 87.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 74.2 110.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 2' ' ' SER . 14.2 mt-30 -66.87 -36.97 83.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.854 . . . . 72.21 109.998 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -44.21 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.36 -0.837 . . . . 72.45 110.087 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.25 -33.43 63.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 73.42 109.65 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.09 -48.77 70.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.272 -0.893 . . . . 73.34 110.529 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 9.5 ptm180 -72.35 -31.85 65.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.135 -0.978 . . . . 74.43 110.549 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.69 -45.58 71.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.074 -1.016 . . . . 62.1 109.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.927 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -64.71 -34.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.329 -0.857 . . . . 70.14 110.227 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -61.39 -49.11 78.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 75.33 110.289 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.7 ptp -67.82 -31.58 71.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.241 -0.912 . . . . 65.53 110.415 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG11 HG21 ' A' ' 83' ' ' VAL . 24.9 t -74.68 -39.79 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 64.32 110.958 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -78.73 -21.4 48.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 74.4 110.969 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 2.0 ptmm? -95.76 -17.19 21.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.95 -1.094 . . . . 74.45 110.049 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -50.76 117.1 2.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 64.44 110.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 15.9 pttm -55.65 -33.59 64.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 75.43 109.658 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' HG3' ' A' ' 18' ' ' LYS . 20.7 m-20 -62.87 -49.63 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.301 -0.875 . . . . 71.23 109.607 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -73.41 -32.47 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 70.32 109.593 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 ttm180 -53.82 -32.78 53.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 63.31 110.275 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -33.64 76.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.363 -0.836 . . . . 73.4 110.216 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 mt -70.8 -45.49 64.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 75.22 109.55 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.77 -10.27 59.29 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.535 -0.728 . . . . 72.15 110.722 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 48.62 31.86 3.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 71.54 109.742 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 30.9 p -77.67 -159.8 0.16 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 64.01 110.782 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.53 164.71 25.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.292 -0.88 . . . . 72.03 110.115 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 8.6 p-10 -168.79 100.37 0.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.204 -0.935 . . . . 70.42 110.198 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -132.05 147.49 18.74 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.633 -1.387 . . . . 75.42 109.633 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 ' H ' HG22 ' A' ' 30' ' ' ILE . 5.7 tt -53.38 -26.01 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.161 -1.2 . . . . 71.41 110.247 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t -86.29 -14.04 44.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.957 . . . . 53.44 110.236 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.47 134.78 1.89 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.362 -1.495 . . . . 31.23 109.362 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 13.0 mttm -126.66 161.23 28.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -1.149 . . . . 75.15 110.184 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' OE2' ' HE2' ' A' ' 77' ' ' LYS . 4.3 tp10 -73.1 143.51 47.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 71.44 109.825 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 114.72 27.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.255 -0.903 . . . . 64.35 110.156 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 15' ' ' GLU . 12.2 mt -99.07 147.18 25.31 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.335 -0.853 . . . . 74.3 109.998 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 129.81 56.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 73.25 110.789 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.59 147.17 52.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.412 -0.805 . . . . 63.13 109.72 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -157.56 167.22 30.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 73.14 110.44 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -81.7 -142.6 3.81 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.488 -1.445 . . . . 74.43 109.488 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -54.5 147.33 14.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -1.149 . . . . 72.24 110.21 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.44 139.56 9.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.137 -0.977 . . . . 72.51 110.4 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 45' ' ' ASN . 1.1 pt -139.29 -168.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.293 -0.879 . . . . 72.44 110.251 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.5 m -112.85 -26.99 8.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 72.43 111.119 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' N ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -111.17 92.62 4.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.904 -1.123 . . . . 51.4 110.548 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD2' ' O ' ' A' ' 47' ' ' LYS . 5.7 p30 -120.99 -149.78 0.44 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.253 -0.905 . . . . 53.32 110.221 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.6 mttt -102.3 -161.05 0.82 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.941 . . . . 73.2 110.587 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 49' ' ' THR . 5.4 p90 -61.89 -20.58 63.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 75.45 110.233 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.556 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -58.67 154.2 15.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 73.01 110.302 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' NH1' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -100.86 -11.73 19.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.872 . . . . 71.52 110.097 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -170.21 144.86 2.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.949 . . . . 74.54 110.254 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -96.37 139.21 21.59 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 73.52 110.027 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.09 160.07 46.39 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.019 1.537 . . . . 71.44 110.484 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm -84.97 132.13 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 70.3 110.352 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -97.69 146.64 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.301 -0.875 . . . . 73.11 110.022 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -124.9 149.94 47.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.931 . . . . 75.31 110.398 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.2 p -100.23 140.89 33.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 63.23 110.31 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -127.73 133.54 49.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 74.11 110.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.14 136.11 23.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.883 . . . . 73.31 110.283 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -120.66 142.18 49.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.301 -0.874 . . . . 74.13 110.235 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -90.27 -166.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.309 -0.869 . . . . 55.34 110.715 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -7.03 45.66 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.404 -0.81 . . . . 65.24 110.667 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -96.42 -12.99 23.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.074 -1.016 . . . . 71.13 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.25 2.27 59.15 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.964 -1.254 . . . . 72.54 109.964 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -75.76 121.63 22.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.042 -1.269 . . . . 72.33 110.052 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.7 m -92.58 132.88 36.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.34 -0.85 . . . . 65.54 110.349 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -112.26 140.3 47.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 74.22 109.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.63 137.55 53.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 74.1 110.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.0 m-85 -126.01 121.38 32.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.877 . . . . 74.44 109.974 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 ttp -140.02 138.68 35.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -0.936 . . . . 73.44 110.554 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.36 148.19 34.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.243 -0.911 . . . . 72.21 110.099 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 1.5 p90 -147.93 154.87 40.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.196 -0.94 . . . . 74.22 110.212 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.54 ' CG ' HD23 ' A' ' 82' ' ' LEU . 53.5 m80 -99.28 160.16 14.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 52.45 110.466 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.7 t -123.8 146.11 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 62.52 109.616 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -119.28 118.77 32.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 63.15 110.95 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.462 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -117.14 173.5 6.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.773 . . . . 64.43 109.738 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HE2' ' OE2' ' A' ' 34' ' ' GLU . 15.2 pttt -78.62 -14.28 59.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 61.34 109.956 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -97.3 -25.35 15.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 74.35 110.303 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER 174.91 -176.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.157 -0.964 . . . . 71.12 110.197 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 74' ' ' VAL . 19.0 mt -114.9 139.56 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.361 -0.837 . . . . 74.12 109.586 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -124.48 157.93 34.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 70.42 110.686 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 82' ' ' LEU . 1.5 tm? -120.67 127.36 51.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.346 -0.846 . . . . 71.05 110.03 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 52.8 t -110.9 133.13 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.31 -0.869 . . . . 64.13 110.272 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 2.0 t60 -129.83 136.8 49.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 72.52 109.885 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -142.54 148.21 37.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.165 -0.959 . . . . 65.21 110.565 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -122.68 137.53 54.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -0.789 . . . . 71.23 109.622 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB2' ' HD1' ' A' ' 98' ' ' PHE . . . -132.76 148.63 52.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.151 -0.968 . . . . 53.33 110.823 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.51 ' HG3' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -134.72 146.2 49.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.494 -0.754 . . . . 64.41 109.004 179.562 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.1 pt-20 -84.37 138.53 32.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.044 -1.035 . . . . 71.22 110.996 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.88 148.2 51.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.445 -0.785 . . . . 74.21 109.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -52.87 143.58 16.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 64.33 110.508 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.497 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 47.5 tp60 41.51 66.55 0.67 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 71.53 110.445 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -149.74 32.35 0.7 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 73.53 110.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 45.78 -142.08 0.31 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -0.885 . . . . 74.33 110.13 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.52 158.54 78.25 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 74.23 109.919 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.1 157.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.858 1.452 . . . . 63.43 110.193 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.51 ' OD1' ' HG3' ' A' ' 88' ' ' LYS . 8.5 p-10 -116.38 141.13 48.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 63.44 110.571 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' A' ' 87' ' ' ALA . 23.3 m-85 -77.29 135.93 38.45 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.313 -0.867 . . . . 73.11 109.755 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' ND2' ' A' ' 100' ' ' ASN . 2.7 pt -114.63 -13.11 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.181 -0.949 . . . . 75.11 110.118 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 17.0 m-80 -149.92 129.35 12.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 73.33 109.747 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -146.19 119.33 8.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.213 -0.93 . . . . 72.52 110.152 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.579 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 29.6 p90 -147.28 161.05 41.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.287 -0.883 . . . . 62.24 110.086 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.1 p -124.04 151.62 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.967 . . . . 61.3 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.27 114.94 27.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 65.5 110.232 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.85 129.32 25.08 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 65.03 109.894 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.503 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 17.2 Cg_endo -63.52 126.85 18.45 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.947 1.499 . . . . 75.53 110.575 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.77 -19.88 22.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.958 -1.257 . . . . 73.11 109.958 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -118.43 169.96 9.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.108 -1.23 . . . . 74.33 110.346 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -85.57 142.89 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 73.11 110.006 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -65.96 143.1 57.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 61.34 110.173 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -113.28 132.96 55.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 53.22 110.061 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 80.5 m-85 -84.1 132.87 34.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 71.25 110.381 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -87.51 -40.25 14.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 63.41 109.962 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 101' ' ' MET . 54.3 mt -109.75 -77.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 72.25 109.983 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 112' ' ' TYR . 3.4 ttpt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.891 . . . . 73.33 110.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.561 -1.416 . . . . 43.31 109.561 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -107.97 -13.04 15.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -1.122 . . . . 75.2 110.081 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.86 -38.58 57.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 70.31 110.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -59.9 -51.45 69.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 75.44 110.318 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.83 -31.7 72.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -0.871 . . . . 65.33 110.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 54.12 109.968 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -33.29 58.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.399 -0.813 . . . . 72.34 109.897 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.8 m-20 -56.48 -51.31 68.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 72.45 110.769 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 ptm180 -61.61 -31.59 71.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.056 -1.027 . . . . 74.13 110.413 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . . . -71.42 -48.07 51.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 71.31 109.671 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -68.25 -33.75 62.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.407 -0.808 . . . . 61.31 110.014 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 3.7 m -58.77 -50.48 73.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 64.52 110.313 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.518 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.4 ptm -66.83 -31.76 72.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.846 . . . . 53.12 110.039 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG22 ' HG ' ' A' ' 113' ' ' LEU . 49.8 t -74.17 -37.52 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 72.54 110.78 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 12' ' ' SER . 9.9 pt-20 -78.1 -25.71 47.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 75.42 110.913 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -95.08 -17.43 21.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.956 -1.09 . . . . 72.31 110.482 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 7.3 t-20 -49.16 126.78 13.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 73.2 110.213 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 26.4 pttt -65.91 -36.54 83.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 72.13 110.713 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 9.9 m-20 -59.63 -48.21 82.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 62.51 110.003 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.551 ' CG1' HD21 ' A' ' 113' ' ' LEU . 26.7 mm -62.53 -36.21 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 41.23 109.658 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -53.94 -34.0 58.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 73.44 109.804 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -63.28 -40.13 96.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 64.4 109.827 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 52.1 mt -73.28 -43.42 61.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.386 -0.821 . . . . 74.33 109.61 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 mm? -83.05 -10.09 58.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.573 -0.705 . . . . 73.43 110.175 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . 39.4 mt-30 52.23 34.93 15.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 63.53 110.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' O ' ' CZ ' ' A' ' 21' ' ' ARG . 28.5 m -84.52 -174.15 5.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 73.44 110.174 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.7 174.05 6.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 64.24 110.08 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER 179.14 85.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.198 -0.939 . . . . 73.02 110.183 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.14 158.18 24.18 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.558 -1.417 . . . . 72.2 109.558 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -19.85 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -1.132 . . . . 72.33 110.18 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 ' H ' HG23 ' A' ' 31' ' ' THR . 2.2 p -87.15 -22.39 25.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -0.912 . . . . 73.45 109.879 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.56 118.69 0.69 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.388 -1.485 . . . . 74.4 109.388 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 22.5 mtpt -111.37 146.08 37.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.246 -1.15 . . . . 61.2 110.481 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.18 142.95 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.219 -0.926 . . . . 73.21 109.978 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -119.61 120.7 37.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 74.52 110.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 76' ' ' SER . 30.7 mt -109.6 146.13 35.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -0.867 . . . . 74.44 110.032 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 137.02 53.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 72.45 110.536 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.834 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -121.51 164.31 17.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.499 -0.751 . . . . 52.33 110.05 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' GLY . 29.2 m-85 -138.46 153.03 48.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.115 -0.99 . . . . 72.0 110.424 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.779 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . -60.93 -138.74 0.01 OUTLIER Glycine 0 N--CA 1.489 2.221 0 C-N-CA 120.218 -0.991 . . . . 72.22 110.807 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -70.05 -133.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.593 -0.945 . . . . 64.13 110.823 -179.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.573 HD13 ' HA ' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 58.82 148.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.255 -0.903 . . . . 73.04 109.993 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ASN . 14.7 pt -135.56 -165.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 75.23 110.461 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 46' ' ' ASP . 5.4 t -38.2 -28.01 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.692 -0.63 . . . . 74.52 110.964 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' ILE . 0.6 OUTLIER -41.5 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.223 -0.923 . . . . 55.41 110.345 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.7 t0 -113.47 -145.0 0.39 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.422 -0.799 . . . . 75.32 110.207 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 67.97 -154.03 0.19 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 75.34 110.418 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LYS . 82.5 m95 -34.51 -46.93 0.29 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.567 -0.708 . . . . 73.31 111.589 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 46' ' ' ASP . 2.2 p -57.73 148.08 25.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.924 -1.11 . . . . 63.54 110.403 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.28 -171.94 2.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.237 -0.914 . . . . 70.22 110.119 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.573 ' HA ' HD13 ' A' ' 42' ' ' LEU . 2.9 t30 -72.83 136.81 45.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.131 -0.981 . . . . 74.3 110.104 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 29.1 mmm-85 -91.61 163.52 27.91 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 72.32 110.367 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 52' ' ' ARG . 35.5 Cg_endo -72.46 160.08 47.64 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 124.02 1.537 . . . . 74.11 110.709 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' HA3' ' A' ' 40' ' ' GLY . 11.3 mm -86.99 108.45 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 73.44 110.513 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -99.7 148.55 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.182 -0.949 . . . . 73.11 109.967 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.76 150.49 42.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 64.55 110.498 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.9 p -100.05 145.48 27.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 62.32 110.131 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 126.47 37.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 72.31 110.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 133.52 43.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 75.14 110.079 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -105.84 136.09 46.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.33 110.21 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.46 -172.74 2.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 72.21 110.119 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -56.63 -20.04 19.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.22 -0.925 . . . . 75.54 110.31 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 14.5 mt-10 -84.45 -10.31 57.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 72.25 110.188 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.88 12.21 80.14 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.44 -1.464 . . . . 65.11 109.44 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 88' ' ' LYS . 35.1 ttp180 -86.59 122.62 30.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -1.151 . . . . 71.53 110.26 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -84.6 131.67 34.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.944 . . . . 64.41 110.401 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -109.9 142.25 41.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.918 . . . . 55.21 109.914 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 57' ' ' THR . 21.7 m80 -117.38 137.49 52.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.204 -0.935 . . . . 74.23 110.391 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 10.2 m-85 -124.31 135.75 53.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 74.45 110.153 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm -141.6 143.84 33.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.166 -0.959 . . . . 74.35 110.263 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 149.65 38.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.935 . . . . 74.04 110.453 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 1.8 p90 -155.94 165.29 36.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -0.851 . . . . 70.41 110.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 m80 -102.05 157.4 16.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.161 -0.962 . . . . 62.1 109.965 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.826 HG22 ' HB2' ' A' ' 38' ' ' ALA . 75.7 t -124.87 140.63 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.238 -0.914 . . . . 63.02 110.14 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -119.08 122.13 41.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.228 -0.92 . . . . 73.53 110.462 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 36' ' ' LEU . 24.2 p -114.62 175.1 5.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 73.32 110.16 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -79.42 -17.32 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 53.41 110.318 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.81 -24.8 14.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 74.4 110.234 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 -166.57 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.335 -0.853 . . . . 74.32 110.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' VAL . 3.5 mp -125.68 144.93 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.244 -0.91 . . . . 63.42 110.098 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.16 157.99 44.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 44.01 110.513 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -112.82 137.99 50.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 74.41 109.684 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 103' ' ' VAL . 84.1 t -119.39 133.33 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 74.43 111.007 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 10.0 t60 -130.32 135.56 48.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.5 -0.75 . . . . 72.51 109.072 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -141.58 153.0 44.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 70.52 111.32 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' TYR . 1.1 tt0 -126.68 130.38 50.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.737 . . . . 71.12 109.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -123.31 153.33 40.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.014 -1.053 . . . . 44.51 111.067 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 65' ' ' ARG . 4.9 ttpt -119.77 144.38 47.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.515 -0.74 . . . . 75.0 109.819 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.2 pp20? -85.66 130.78 34.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 65.11 110.251 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LYS . 21.2 m -81.68 150.68 27.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 73.15 110.4 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -43.65 159.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 53.11 110.155 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER 63.67 -164.3 0.25 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 70.3 110.134 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -93.33 24.55 3.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 64.41 109.981 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -175.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 75.21 110.327 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.06 156.91 51.75 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 71.32 110.344 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -67.03 157.33 62.23 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.988 1.52 . . . . 71.52 110.213 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.85 117.31 21.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.153 -0.967 . . . . 73.31 110.437 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 9' ' ' ARG . 65.4 m-85 -68.45 136.74 53.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 73.35 109.876 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -119.33 -19.94 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 60.04 110.454 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 37.8 m-20 -145.2 129.71 17.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 75.14 110.381 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 120.01 7.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.474 -0.766 . . . . 73.12 110.174 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.7 p90 -146.95 163.18 36.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.22 -0.925 . . . . 75.23 109.961 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 58.7 t -124.69 151.75 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 75.22 110.473 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.55 115.58 30.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 42.31 110.152 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 33.9 t -106.98 128.08 26.78 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 63.21 110.319 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.3 Cg_exo -64.24 126.33 16.87 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.84 1.442 . . . . 55.12 110.367 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.63 13.81 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.971 -1.252 . . . . 63.22 109.971 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 29.0 mt-10 -119.17 161.04 21.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.136 -1.214 . . . . 62.12 109.891 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 145.29 37.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 55.24 110.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -62.31 125.92 25.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.946 . . . . 71.11 110.37 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.541 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.0 t80 -94.35 128.06 40.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 73.14 109.976 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 21.2 p90 -76.41 137.17 39.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.917 . . . . 73.23 110.596 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.626 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -93.91 -37.62 11.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 72.13 109.947 179.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 101' ' ' MET . 26.0 mt -111.98 -46.59 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 75.13 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 1.7 ttpt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.296 -0.877 . . . . 73.45 110.208 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.493 -1.443 . . . . 74.32 109.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -147.99 27.57 0.96 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -1.138 . . . . 73.32 110.257 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 -36.36 69.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 73.24 109.818 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -64.9 -48.2 75.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 72.24 109.863 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.35 -31.35 67.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.931 . . . . 73.31 109.86 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.9 -41.54 98.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.393 -0.817 . . . . 74.24 109.767 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -36.4 52.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.886 . . . . 75.24 109.669 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -56.04 -51.89 66.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 72.31 110.483 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 2.5 ptt180 -59.84 -37.94 80.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.129 -0.982 . . . . 74.21 109.897 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -65.25 -47.53 76.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 41.45 109.743 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.755 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -66.65 -30.82 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 73.31 109.78 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.4 -44.92 95.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 75.13 110.253 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.8 ptp -72.54 -30.69 64.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.912 . . . . 50.32 109.964 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.1 t -72.11 -40.73 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.861 . . . . 54.13 110.614 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB2' HD12 ' A' ' 36' ' ' LEU . 2.4 pp20? -78.19 -21.05 50.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 74.33 110.613 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 27.0 pttt -96.76 -15.03 21.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.12 -0.987 . . . . 74.41 110.411 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 120.71 6.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 71.34 110.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -65.5 -26.1 67.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 64.44 110.381 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 42.5 m-20 -72.04 -44.03 64.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.172 -0.955 . . . . 74.44 110.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.3 -35.62 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 72.32 110.268 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' GLN . 17.0 ttm180 -52.13 -35.79 49.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.116 -0.99 . . . . 73.45 110.128 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.09 91.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 72.15 110.081 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD11 ' CG ' ' A' ' 111' ' ' TYR . 32.1 mt -73.1 -46.46 51.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 74.25 109.476 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -88.21 5.64 40.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.621 -0.674 . . . . 72.52 110.125 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 21' ' ' ARG . 40.1 mt-30 48.74 30.45 2.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.127 -0.983 . . . . 73.32 109.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 36' ' ' LEU . 1.1 t -68.27 178.82 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.29 -0.881 . . . . 65.23 110.357 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -136.77 168.49 19.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 54.53 110.187 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 17.3 t0 -179.22 94.96 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.287 -0.883 . . . . 54.21 110.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' O ' ' HE2' ' A' ' 33' ' ' LYS . . . -137.17 156.57 23.44 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.563 -1.415 . . . . 72.13 109.563 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.23 -28.19 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -1.151 . . . . 64.33 110.043 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 t -79.22 -20.99 46.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 75.52 110.106 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -177.83 134.15 2.37 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.637 -1.385 . . . . 73.13 109.637 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -122.96 143.84 49.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -1.156 . . . . 70.15 110.249 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 13.7 tp10 -73.15 143.14 47.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 62.14 109.927 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -115.1 117.18 29.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 54.03 110.248 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.785 HD11 ' SG ' ' A' ' 26' ' ' CYS . 27.9 mt -109.77 146.92 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.828 . . . . 74.1 110.236 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 141.51 46.96 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.276 -0.89 . . . . 72.1 109.736 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -144.8 158.48 43.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 70.45 110.9 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 9.1 p90 -144.04 157.34 44.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 63.44 109.759 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' HA2' ' CB ' ' A' ' 72' ' ' PHE . . . -74.49 -168.26 19.6 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.787 -1.325 . . . . 72.34 109.787 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 11.0 mt-10 -80.69 134.47 35.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.478 -1.013 . . . . 74.23 110.355 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 1.2 mt 169.64 129.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.298 -0.876 . . . . 71.34 110.151 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.7 pp -43.21 149.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 73.51 109.912 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 45' ' ' ASN . 10.6 t -169.94 -33.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 64.32 110.636 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 6.1 t30 59.4 112.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.92 . . . . 75.45 109.646 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 1.5 p30 41.3 -160.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 74.53 110.295 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 55.62 -160.74 0.18 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 71.33 109.92 -179.656 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.98 -79.51 0.61 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.052 -1.03 . . . . 75.52 110.269 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 50' ' ' ARG . 15.3 t -178.5 -38.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.142 -0.974 . . . . 63.51 110.276 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' N ' HG23 ' A' ' 49' ' ' THR . 1.4 mtt180 57.35 -125.37 1.75 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.364 -0.835 . . . . 74.11 110.356 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 8.7 p-10 -81.27 76.87 8.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.961 -1.087 . . . . 74.52 110.802 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 0.0 OUTLIER -124.92 125.02 25.44 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.935 . . . . 61.44 109.767 179.331 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.21 159.55 53.36 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 O-C-N 123.87 1.458 . . . . 74.02 110.708 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ILE . 24.7 mm -111.27 137.76 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 64.12 110.06 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.0 t -97.36 142.29 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 70.11 110.2 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 m -121.41 145.83 47.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.211 -0.93 . . . . 73.05 110.118 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 33.8 p -99.93 145.66 27.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.316 -0.865 . . . . 64.22 110.342 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -133.8 126.37 30.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.304 -0.873 . . . . 73.14 110.138 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.95 141.96 30.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.871 . . . . 75.22 110.042 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -113.75 143.04 45.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.007 . . . . 45.33 110.462 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.72 -170.74 2.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.24 -0.912 . . . . 74.21 110.037 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 2.4 tmtt? -62.57 -19.7 63.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -0.915 . . . . 73.34 110.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 1.7 mm-40 -87.78 -8.03 56.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 63.31 110.278 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.0 80.87 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.741 -1.344 . . . . 63.15 109.741 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.4 ttt180 -67.85 121.68 16.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -1.206 . . . . 75.34 110.035 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 2.3 m -82.23 131.13 35.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 61.15 110.598 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -113.75 142.44 46.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 70.41 109.731 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -120.08 142.71 48.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.087 -1.008 . . . . 73.42 110.612 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 72.6 m-85 -126.38 125.87 42.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 65.45 109.96 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.496 ' CE ' ' HB2' ' A' ' 7' ' ' PHE . 2.7 ttt -134.53 137.88 44.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.218 -0.926 . . . . 75.31 110.45 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' ND1' ' A' ' 84' ' ' HIS . 3.9 mtt180 -138.41 142.78 39.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.882 . . . . 74.25 109.974 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.633 ' HE1' HG23 ' A' ' 11' ' ' VAL . 19.7 p90 -152.62 155.18 36.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 65.42 110.403 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.668 ' ND1' HD13 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -101.01 160.02 14.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.216 -0.927 . . . . 65.4 110.273 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.1 t -129.18 148.95 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.839 . . . . 72.33 109.895 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG2' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -127.68 117.82 22.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 74.13 110.736 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.581 ' OG ' HD22 ' A' ' 36' ' ' LEU . 2.3 t -114.13 175.24 5.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.378 -0.827 . . . . 65.14 110.203 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HE2' ' HE2' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -77.23 -15.91 59.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.301 -0.874 . . . . 75.24 110.052 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -93.29 -28.56 16.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.304 -0.873 . . . . 64.21 109.952 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 173.1 -174.58 0.05 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 74.42 110.05 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 mp -115.24 142.44 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 74.42 110.25 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.1 157.98 40.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 75.24 110.403 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.668 HD13 ' ND1' ' A' ' 73' ' ' HIS . 12.2 tp -113.99 133.05 55.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 71.23 109.465 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.542 ' CG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.4 t -120.76 126.32 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 72.23 111.146 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.512 ' ND1' ' HG2' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -124.22 128.34 49.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.824 . . . . 73.4 109.222 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 4.2 pp -128.66 148.05 50.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 60.23 111.361 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 3.2 mt-10 -119.46 131.06 55.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 73.22 109.221 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -121.01 153.12 37.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 75.21 111.2 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -129.05 144.25 51.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.696 -0.628 . . . . 61.43 109.381 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 7.4 pt-20 -85.71 139.76 31.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 61.05 110.449 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.0 m -118.66 133.24 56.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.395 -0.815 . . . . 62.45 109.666 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 67.9 -148.68 0.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.141 -0.974 . . . . 71.22 109.927 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -58.98 -171.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.043 -1.035 . . . . 73.22 110.373 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -72.63 65.59 0.69 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 75.43 110.419 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.63 -157.31 0.52 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 65.24 110.289 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.53 128.51 83.89 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 75.52 110.233 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -61.65 153.89 64.0 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 123.89 1.468 . . . . 65.41 110.156 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -120.39 126.58 50.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.115 -0.991 . . . . 63.32 110.344 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 85' ' ' LEU . 22.8 m-85 -60.18 139.07 57.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 65.34 110.047 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.48 -23.06 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 64.55 110.016 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -147.54 129.59 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 70.23 109.733 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.929 ' HB2' HD12 ' A' ' 114' ' ' ILE . 15.6 ttt -148.81 131.91 16.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.057 -1.027 . . . . 73.33 110.985 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 24.4 p90 -148.54 155.3 40.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 72.52 109.903 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 p -120.87 142.24 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.043 -1.036 . . . . 73.54 110.469 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.1 114.97 29.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 72.23 109.891 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.74 130.66 22.68 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.226 -0.921 . . . . 74.22 109.979 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -67.18 126.52 15.2 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 123.823 1.433 . . . . 73.22 110.484 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.85 -18.7 24.96 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.178 -1.169 . . . . 70.33 110.178 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.78 163.31 15.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.046 -1.267 . . . . 53.32 110.485 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.75 127.55 32.63 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.83 . . . . 75.41 110.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 138.73 29.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.179 -0.951 . . . . 72.51 110.039 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.3 t80 -117.86 129.07 55.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.268 -0.895 . . . . 73.04 110.262 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 16.1 p90 -82.35 141.37 32.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.9 . . . . 73.25 110.239 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.72 -27.56 12.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 64.51 110.236 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.929 HD12 ' HB2' ' A' ' 101' ' ' MET . 42.3 mt -111.75 -47.42 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 74.45 110.544 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 72.1 110.25 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.566 -1.414 . . . . 50.32 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 69.4 p -169.32 -60.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -1.13 . . . . 54.34 110.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' OD2' ' O ' ' A' ' 54' ' ' ILE . 1.7 p30 -60.05 -36.64 77.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 52.15 110.231 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.1 m -54.06 -51.96 62.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 50.43 110.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -55.76 -30.46 61.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 63.24 109.91 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -40.48 96.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.869 . . . . 72.44 110.232 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.67 -36.68 60.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -0.848 . . . . 71.31 109.836 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.14 -45.85 75.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.857 . . . . 63.31 110.432 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.7 ptm180 -74.33 -35.46 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.924 . . . . 70.41 110.484 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -65.1 -41.19 95.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 71.0 110.219 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.883 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -71.29 -33.92 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.221 -0.925 . . . . 75.41 110.126 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -52.63 -49.09 65.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.314 -0.866 . . . . 64.21 110.289 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.5 ppp? -71.72 -29.57 64.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.291 -0.881 . . . . 74.34 110.083 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 83' ' ' VAL . 19.8 t -74.67 -44.05 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 64.32 110.488 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -77.53 -22.64 50.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.16 -0.963 . . . . 74.44 110.346 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -97.24 -14.84 21.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 75.44 110.107 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.92 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.1 t30 -46.82 121.68 3.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 61.11 110.392 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.54 -31.1 72.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.953 . . . . 54.53 110.099 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.68 -42.16 78.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.5 110.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.57 -33.95 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 75.52 110.201 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.5 mtp-105 -55.06 -36.79 65.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 71.01 110.184 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -36.56 84.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 71.1 110.02 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -73.66 -42.57 61.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.208 -0.933 . . . . 74.15 109.75 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 2.4 mm? -78.98 -10.0 59.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 63.42 110.507 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' CYS . 26.0 mt-30 55.5 33.55 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -0.954 . . . . 74.13 109.682 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' LEU . 98.9 m -56.44 -157.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.367 -0.833 . . . . 75.22 110.608 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' H ' ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -159.26 171.76 19.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.89 . . . . 75.12 110.161 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 18.9 p-10 -170.46 99.56 0.26 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.225 -0.922 . . . . 75.13 110.292 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -156.75 165.65 33.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.764 -1.334 . . . . 32.22 109.764 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 tp -65.1 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.293 -1.122 . . . . 74.44 110.377 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 31' ' ' THR . 3.2 t -97.28 -19.96 18.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.22 -0.925 . . . . 53.32 110.396 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.84 118.75 0.84 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.941 -1.264 . . . . 62.11 109.941 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -118.49 130.24 55.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 74.03 109.781 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -73.13 136.97 44.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.155 -0.965 . . . . 63.3 110.588 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 122.12 31.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.392 -0.818 . . . . 73.01 109.702 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 76' ' ' SER . 72.6 mt -109.56 143.12 39.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.098 -1.001 . . . . 63.24 110.926 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.88 129.56 38.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.429 -0.794 . . . . 41.2 109.698 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.883 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -120.49 163.86 17.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 74.11 110.518 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 6.2 p90 -159.36 171.29 20.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.301 -0.875 . . . . 71.22 109.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' A' ' 41' ' ' GLU . . . -112.86 169.83 13.15 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.245 -1.542 . . . . 62.25 109.245 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 1.8 mt-10 -132.57 -155.59 0.69 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.404 -1.056 . . . . 74.11 110.302 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 54.68 96.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 72.14 110.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.8 pt -115.96 -171.78 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 53.31 110.178 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 44' ' ' THR . 97.4 m -107.56 73.09 0.89 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 71.02 109.988 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 177.62 172.9 0.56 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.248 -0.908 . . . . 72.54 109.624 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.64 22.21 9.31 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.439 -0.788 . . . . 33.42 110.315 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -98.44 -160.01 0.78 Allowed 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.343 0.592 . . . . 75.13 110.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.561 ' C ' HG22 ' A' ' 49' ' ' THR . 5.4 m95 -101.72 -58.57 1.86 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.433 -0.792 . . . . 75.4 109.54 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.561 HG22 ' C ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 171.16 148.24 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.522 -0.736 . . . . 73.43 109.95 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.41 57.51 1.06 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 70.51 109.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.43 33.0 18.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.302 -0.874 . . . . 72.35 109.915 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 157.93 85.18 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 70.34 110.116 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.5 159.5 53.38 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 O-C-N 124.105 1.582 . . . . 40.42 110.737 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' ' OD2' ' A' ' 3' ' ' ASP . 19.8 mm -85.98 139.96 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.397 -0.815 . . . . 73.1 109.509 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.89 143.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.257 -0.902 . . . . 64.45 110.154 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -123.98 151.84 43.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.457 -0.777 . . . . 62.43 110.608 -179.304 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -100.02 147.36 25.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 71.54 110.309 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 127.27 36.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 72.51 110.047 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -141.85 125.42 16.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 74.23 110.185 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -102.98 139.3 38.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 72.43 110.301 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -92.52 -172.2 3.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.926 . . . . 71.14 110.223 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -65.25 -10.95 36.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.247 -0.908 . . . . 63.3 110.065 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' A' ' 62' ' ' LYS . 76.9 mt-10 -86.27 -13.84 45.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 72.42 110.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.22 66.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.558 -1.417 . . . . 72.33 109.558 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -94.71 126.58 40.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -1.187 . . . . 74.44 110.172 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 23.0 m -93.64 141.04 28.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.289 -0.882 . . . . 72.52 110.304 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -105.56 146.2 29.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 71.23 109.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 56' ' ' SER . 63.7 t-80 -117.2 136.13 53.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 72.45 110.286 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 74.5 m-85 -125.95 119.65 28.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 74.12 110.034 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.445 ' HE2' HG21 ' A' ' 54' ' ' ILE . 12.4 ttt -137.77 140.51 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.175 -0.953 . . . . 64.25 110.158 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -149.88 149.47 30.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 72.43 110.714 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.625 ' CE2' HG23 ' A' ' 11' ' ' VAL . 7.2 p90 -150.14 156.97 42.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.385 -0.822 . . . . 71.44 109.819 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 17.5 m80 -92.3 154.6 18.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 74.54 110.495 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.701 HG22 ' HB2' ' A' ' 38' ' ' ALA . 19.2 t -126.62 131.21 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 72.33 109.85 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.02 123.95 47.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 63.42 110.355 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 36' ' ' LEU . 1.2 t -109.21 170.38 8.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 42.45 110.097 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -76.28 -16.43 59.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 62.51 110.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -29.17 11.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 54.44 110.34 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -170.09 -164.26 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.013 . . . . 75.33 110.478 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.05 141.75 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 64.24 109.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.88 157.23 45.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 42.54 110.44 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' NE2' ' A' ' 84' ' ' HIS . 0.5 OUTLIER -114.91 137.95 51.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.39 -0.819 . . . . 52.22 109.831 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 14' ' ' VAL . 44.8 t -114.88 130.15 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.154 -0.966 . . . . 74.33 110.772 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.625 ' NE2' HD22 ' A' ' 82' ' ' LEU . 26.2 m-70 -128.99 124.3 34.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 72.42 109.491 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -130.62 150.15 51.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.086 -1.009 . . . . 61.04 111.051 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG3' ' CD1' ' A' ' 69' ' ' TYR . 1.2 mp0 -121.46 136.51 54.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.536 -0.727 . . . . 72.5 109.362 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.776 ' HB2' ' HD2' ' A' ' 98' ' ' PHE . . . -135.82 150.92 49.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.886 -1.134 . . . . 65.02 111.1 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 144.0 48.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.565 -0.71 . . . . 55.43 109.394 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -94.84 133.03 38.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.095 -1.003 . . . . 73.52 110.979 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 92' ' ' GLN . 4.0 m -86.66 152.04 22.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.514 -0.741 . . . . 74.43 109.422 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -36.02 -29.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.518 -0.739 . . . . 73.34 110.857 -179.543 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 90' ' ' SER . 28.8 tt0 -56.08 165.26 1.02 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 70.33 110.048 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 92' ' ' GLN . 11.4 t30 -102.08 54.76 0.8 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 71.32 110.443 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.432 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -130.36 -159.39 0.96 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.143 -0.973 . . . . 62.21 110.455 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -79.02 148.24 71.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.343 -0.848 . . . . 64.42 110.253 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.37 148.14 48.28 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 O-C-N 124.099 1.578 . . . . 74.32 110.257 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.07 128.17 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.927 . . . . 73.15 110.183 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.776 ' HD2' ' HB2' ' A' ' 87' ' ' ALA . 25.7 m-85 -59.03 138.35 57.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 75.42 110.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 99' ' ' ILE . 1.3 pt -118.97 -20.78 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 53.13 109.817 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 28.4 m-20 -141.6 130.0 22.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.356 -0.84 . . . . 75.13 109.883 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.803 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 118.53 6.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 61.45 110.621 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 44.8 p90 -147.43 158.28 43.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 74.43 109.863 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 28.5 t -122.49 150.85 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.089 -1.007 . . . . 74.11 110.5 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 13.9 t0 -112.65 118.52 35.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.886 . . . . 74.24 109.936 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 40.2 t -110.1 124.93 32.18 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 74.21 110.267 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 17.1 Cg_exo -63.13 127.2 19.61 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.891 1.469 . . . . 63.34 110.424 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.65 -20.3 24.26 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.744 -1.342 . . . . 74.32 109.744 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.444 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 56.5 mm-40 -118.77 156.33 29.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -1.149 . . . . 61.33 110.053 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 133.1 42.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.973 . . . . 72.31 109.927 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 10.2 ptp180 -61.07 143.54 55.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 72.41 110.335 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -120.42 133.24 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.397 -0.814 . . . . 73.12 110.357 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.5 m-85 -79.72 147.07 32.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 73.12 110.28 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.92 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.67 -41.02 6.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.246 -0.909 . . . . 64.43 110.493 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 101' ' ' MET . 61.1 mt -107.46 -68.4 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 73.32 110.417 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 114' ' ' ILE . 4.6 pttp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.497 -0.752 . . . . 74.45 110.805 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' C ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 50.32 109.527 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' OG ' ' C ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER 54.44 17.7 1.68 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.238 -1.154 . . . . 54.34 110.25 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 1.9 p30 -76.84 -30.26 56.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 52.15 110.364 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -56.65 -45.98 81.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.218 -0.926 . . . . 50.43 110.355 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.05 -32.65 71.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.173 -0.954 . . . . 63.24 110.493 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.27 -40.8 95.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.153 -0.967 . . . . 72.44 110.199 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -35.76 57.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 71.31 109.761 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -56.86 -51.72 67.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 63.31 110.356 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.9 ptm180 -66.41 -32.0 73.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 70.41 109.948 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -67.56 -50.96 56.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.419 -0.8 . . . . 71.0 109.494 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.999 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -65.19 -34.69 72.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 75.41 109.857 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 21.0 t -62.56 -46.94 86.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.387 -0.821 . . . . 64.21 110.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.556 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.21 -29.83 64.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -0.969 . . . . 74.34 110.02 179.737 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 10' ' ' ALA . 72.3 t -72.12 -40.7 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 64.32 110.555 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 1.016 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.3 pp20? -77.08 -19.97 56.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.003 . . . . 74.44 110.363 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -100.07 -16.12 17.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.139 -0.976 . . . . 75.44 110.401 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' MET . 1.1 t-20 -53.95 121.68 8.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 61.11 110.207 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -42.55 67.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.204 -0.935 . . . . 54.53 110.181 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 9.3 m-20 -61.65 -43.84 98.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 73.5 110.197 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 111' ' ' TYR . 51.5 mm -74.67 -35.63 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 75.52 109.994 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -50.95 -41.4 59.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 71.01 109.751 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.5 70.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.852 . . . . 71.1 109.95 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 19' ' ' ASP . 11.5 mt -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.301 -0.874 . . . . 74.15 109.8 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 1.8 mm? -84.77 -10.03 57.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.344 -0.848 . . . . 63.42 110.184 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 53.66 41.9 31.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.27 -0.894 . . . . 74.13 110.014 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.1 -168.35 1.31 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.33 -0.856 . . . . 75.22 110.27 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 3.6 m-20 -93.69 169.24 10.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.91 . . . . 75.12 110.182 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-20 176.9 86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.362 -0.836 . . . . 75.13 110.276 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 33' ' ' LYS . . . -125.73 149.26 17.21 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.251 -1.539 . . . . 32.22 109.251 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.728 ' C ' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.68 -27.67 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -1.166 . . . . 74.44 110.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -89.21 -12.42 40.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 53.32 110.536 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.41 125.59 1.0 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.753 -1.339 . . . . 62.11 109.753 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.72 161.99 19.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -1.063 . . . . 74.03 109.778 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -72.8 143.14 48.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.149 -0.97 . . . . 63.3 109.451 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -92.34 114.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.01 110.817 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.016 HD12 ' HB2' ' A' ' 15' ' ' GLU . 25.0 mt -109.73 147.34 33.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.44 -0.787 . . . . 63.24 109.336 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 131.15 55.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 41.2 111.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.999 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -137.8 151.87 48.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.731 -0.606 . . . . 74.11 109.569 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.3 p90 -157.29 167.22 30.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.024 -1.048 . . . . 71.22 110.431 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . -118.82 149.56 18.19 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.194 -1.563 . . . . 62.25 109.194 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -151.84 165.46 34.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.293 -1.122 . . . . 74.11 110.548 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.75 HD13 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -140.89 -178.64 5.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 72.14 110.026 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -57.28 161.55 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 53.31 110.491 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 43' ' ' ILE . 15.3 m -170.22 -37.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.643 -0.661 . . . . 71.02 109.559 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 44' ' ' THR . 48.4 p30 -179.07 -132.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.412 -0.805 . . . . 72.54 109.795 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -107.14 22.53 15.84 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.009 -1.057 . . . . 33.42 110.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' C ' ' CG ' ' A' ' 48' ' ' TRP . 2.5 mmmt -114.36 -151.96 0.49 Allowed 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.806 -0.559 . . . . 75.13 110.398 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CG ' ' C ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -174.15 -33.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.338 -0.851 . . . . 75.4 110.147 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' O ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -62.33 -141.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 73.43 110.125 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 49' ' ' THR . 18.2 mmt180 56.92 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 70.51 110.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASN . 15.4 p-10 -80.41 108.21 13.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.136 -0.978 . . . . 72.35 110.516 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -105.52 164.67 14.57 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 70.34 109.879 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 52' ' ' ARG . 20.9 Cg_endo -63.46 160.06 37.43 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 123.872 1.459 . . . . 40.42 109.532 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.701 HG21 ' CE ' ' A' ' 70' ' ' MET . 25.8 mm -94.52 131.31 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.918 . . . . 73.1 110.576 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.75 HG12 HD13 ' A' ' 42' ' ' LEU . 8.2 p -103.21 151.99 6.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.363 -0.836 . . . . 64.45 109.843 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 150.46 50.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 62.43 110.758 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.1 p -101.37 146.05 28.1 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.355 -0.841 . . . . 71.54 109.67 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 6.7 ptpt -129.22 124.65 35.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 72.51 110.722 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -123.87 134.93 53.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 74.23 109.558 179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -121.69 136.89 54.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.992 . . . . 72.43 110.727 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.14 -164.15 1.12 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.576 -0.703 . . . . 71.14 109.784 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -15.7 63.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 63.3 110.092 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -87.21 -13.71 43.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 72.42 110.224 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.62 -0.15 79.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.675 -1.37 . . . . 72.33 109.675 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.3 tpp180 -67.92 125.41 26.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.177 -1.19 . . . . 74.44 110.002 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 7.3 m -97.8 129.51 44.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 72.52 110.645 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -105.93 136.72 45.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 71.23 109.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' A' ' 66' ' ' THR . 15.6 m170 -118.2 142.51 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 72.45 110.787 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' CE1' ' OE2' ' A' ' 86' ' ' GLU . 70.1 m-85 -124.95 121.29 34.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.337 -0.852 . . . . 74.12 109.693 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.701 ' CE ' HG21 ' A' ' 54' ' ' ILE . 2.6 ttt -135.07 144.16 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.093 -1.004 . . . . 64.25 110.609 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.8 143.62 25.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.353 -0.842 . . . . 72.43 110.156 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 11' ' ' VAL . 10.1 p90 -147.62 152.47 37.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 71.44 110.097 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.06 155.76 18.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 74.54 110.451 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 38' ' ' ALA . 10.6 t -128.92 130.83 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -0.867 . . . . 72.33 109.988 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.94 128.8 54.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.174 -0.954 . . . . 63.42 110.358 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.521 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.6 172.14 7.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 42.45 110.092 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -13.69 59.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 62.51 110.213 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -106.76 -28.83 9.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.302 -0.874 . . . . 54.44 110.534 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -170.75 -168.19 0.65 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 75.33 110.547 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.67 144.5 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.312 -0.868 . . . . 64.24 109.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.02 157.82 43.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 42.54 110.568 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -114.9 135.96 53.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.38 -0.825 . . . . 52.22 109.484 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.61 ' CG1' ' HE2' ' A' ' 101' ' ' MET . 41.6 t -118.4 127.22 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 74.33 111.026 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 1.3 m-70 -123.21 132.88 54.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 72.42 109.598 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.6 pp -141.74 153.89 44.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.98 -1.075 . . . . 61.04 111.107 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' OE1' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -130.1 126.87 38.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.484 -0.76 . . . . 72.5 109.311 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -111.17 150.64 29.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 65.02 110.92 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 99' ' ' ILE . 16.3 ttpt -134.66 138.56 44.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.582 -0.699 . . . . 55.43 109.612 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -99.1 132.44 44.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 73.52 110.299 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.8 p -117.83 150.92 38.35 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.269 -0.894 . . . . 74.43 110.135 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 68.69 -150.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.275 -0.891 . . . . 73.34 109.867 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -54.8 -163.51 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 70.33 110.453 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.75 41.53 0.73 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.18 -0.95 . . . . 71.32 110.632 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.75 -172.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 62.21 110.032 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 29.5 pt20 -73.18 133.39 81.31 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 64.42 110.038 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -50.8 147.87 17.52 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 123.83 1.437 . . . . 74.32 110.175 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.76 125.51 54.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 73.15 110.429 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 85' ' ' LEU . 73.7 m-85 -59.53 134.67 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 75.42 109.76 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.5 pt -121.77 -15.68 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.183 -0.948 . . . . 53.13 110.56 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 56.5 m-80 -155.89 131.7 9.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 75.13 110.483 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.61 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.63 127.22 12.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 61.45 110.325 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 21.6 p90 -147.23 149.69 33.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.226 -0.921 . . . . 74.43 110.372 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 82' ' ' LEU . 9.1 p -120.94 150.04 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.203 -0.936 . . . . 74.11 110.386 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.44 117.01 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.356 -0.84 . . . . 74.24 110.224 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.4 p -116.19 131.21 23.9 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 74.21 110.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 14.1 Cg_exo -64.5 132.38 33.1 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.89 1.468 . . . . 63.34 110.742 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.22 21.51 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.105 -1.198 . . . . 74.32 110.105 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 105' ' ' VAL . 2.3 mt-10 -118.88 164.37 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.073 -1.251 . . . . 61.33 110.373 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.7 129.57 34.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 72.31 110.257 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -52.63 139.83 24.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 72.41 110.253 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 11.8 t80 -117.6 126.32 52.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.359 -0.838 . . . . 73.12 109.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 32.9 m-85 -76.88 137.39 39.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 73.12 110.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -92.35 -37.74 12.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 64.43 110.093 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 54.8 mt -116.87 -51.84 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 73.32 110.193 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 74.45 110.154 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.48 -1.448 . . . . 32.1 109.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.67 -3.35 9.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -1.152 . . . . 54.23 109.988 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 4' ' ' THR . 1.7 p30 -56.39 -33.43 65.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 54.31 110.1 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.506 ' N ' ' OD2' ' A' ' 3' ' ' ASP . 19.5 m -58.62 -44.42 89.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 65.32 109.869 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.76 -35.26 78.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 65.14 109.721 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 68.8 mt -61.58 -38.8 88.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 63.34 109.974 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.07 -35.25 64.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.268 -0.895 . . . . 64.43 109.479 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' SER . 7.1 m-20 -62.43 -51.58 66.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 70.2 110.176 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 10.0 ptm180 -68.18 -41.65 81.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.164 -0.96 . . . . 73.32 109.914 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -59.59 -49.24 78.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 73.22 109.822 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.56 -36.52 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.251 -0.906 . . . . 72.2 109.986 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -57.32 -51.05 70.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 75.01 109.929 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.532 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 6.3 ptt? -65.32 -31.73 73.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.276 -0.89 . . . . 64.54 109.835 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 10' ' ' ALA . 75.7 t -73.97 -35.67 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 64.32 110.442 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HB2' HD12 ' A' ' 36' ' ' LEU . 8.7 pt-20 -80.65 -21.04 41.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 71.4 110.678 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 6.9 ptmm? -98.57 -17.02 18.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 73.31 110.406 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.0 t30 -47.84 119.48 2.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 61.4 110.022 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.7 pttm -58.01 -38.11 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 75.1 110.185 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.49 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 21.5 m-20 -57.51 -49.53 76.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.915 . . . . 71.22 109.531 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 111' ' ' TYR . 46.8 mm -67.49 -33.94 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.891 . . . . 71.41 109.433 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 1.7 ttt85 -52.65 -35.52 55.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.448 -0.782 . . . . 72.02 109.457 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -64.53 -40.35 95.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 72.31 109.763 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 111' ' ' TYR . 58.5 mt -71.97 -42.31 66.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 62.41 109.319 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.48 -10.16 59.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.521 -0.737 . . . . 53.41 110.184 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 15.7 mt-30 51.29 30.09 5.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 72.33 109.815 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' HB3' HD12 ' A' ' 24' ' ' LEU . 27.3 p -89.17 -157.44 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.35 -0.844 . . . . 72.55 110.493 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 1.1 m-20 -128.03 168.73 14.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 65.44 110.098 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 25.4 t0 -178.14 88.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.348 -0.845 . . . . 61.44 110.088 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 159.39 27.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.674 -1.37 . . . . 70.41 109.674 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -21.51 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -1.127 . . . . 63.31 110.092 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 t -80.99 -20.0 42.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 74.11 110.048 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 33' ' ' LYS . . . 169.38 138.73 2.55 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.29 -1.524 . . . . 63.2 109.29 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -125.73 149.35 48.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.072 -1.252 . . . . 73.33 110.466 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 2.2 tp10 -73.68 143.13 46.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 71.1 109.903 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -109.71 123.19 49.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 73.52 110.6 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.5 mt -109.66 147.73 32.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.485 -0.759 . . . . 61.21 109.946 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -113.37 133.87 54.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.39 -0.819 . . . . 62.53 110.999 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -140.09 136.23 33.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.576 -0.703 . . . . 61.54 109.591 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.6 p90 -135.28 165.2 25.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.121 -0.987 . . . . 64.34 110.639 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -72.76 -135.92 0.22 Allowed Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.557 -1.417 . . . . 54.4 109.557 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 179.33 5.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.263 -1.139 . . . . 74.35 110.328 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.37 106.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 74.03 110.277 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 1.1 pp -133.1 171.21 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.236 -0.915 . . . . 72.25 110.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.6 t -171.46 29.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.37 -0.831 . . . . 75.44 110.064 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -90.75 -151.85 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 43.44 110.292 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' OD1' ' HB ' ' A' ' 49' ' ' THR . 26.0 p-10 -106.4 -139.94 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 53.35 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 pttm -56.31 -144.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.605 0.716 . . . . 74.43 111.426 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 m-90 -32.98 -42.57 0.08 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.562 -0.711 . . . . 74.43 112.118 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.497 ' HB ' ' OD1' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -44.04 130.82 5.98 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.823 -1.173 . . . . 71.22 109.715 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -151.25 29.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.083 -1.011 . . . . 73.22 110.65 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.192 -0.943 . . . . 64.43 110.068 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.24 153.01 45.59 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 54.2 110.372 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HD2' ' HG3' ' A' ' 52' ' ' ARG . 38.2 Cg_endo -73.79 159.27 45.62 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.062 1.559 . . . . 74.33 110.283 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 21.8 mm -115.39 138.16 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.376 -0.827 . . . . 73.25 110.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -101.38 151.4 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 62.1 110.095 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.3 p -129.19 151.45 49.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 64.4 110.462 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 29.1 p -105.82 146.55 29.75 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.49 -0.756 . . . . 75.21 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -135.21 127.11 29.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.03 110.407 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -136.14 125.06 24.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 70.31 109.923 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -111.25 136.76 49.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.214 -0.929 . . . . 73.54 110.351 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.82 -165.19 1.29 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.891 . . . . 70.41 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -9.54 52.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 64.1 110.271 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -88.17 -12.42 43.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 64.03 110.346 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.77 15.52 65.4 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.69 -1.364 . . . . 51.3 109.69 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 11.2 ttm180 -97.28 122.42 40.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -1.169 . . . . 71.13 110.133 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m -93.9 134.78 35.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 64.12 110.415 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.44 ' NE2' ' CD ' ' A' ' 65' ' ' ARG . 36.1 m80 -109.02 149.05 29.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 72.4 109.885 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -120.77 137.94 54.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.214 -0.928 . . . . 72.03 110.731 -179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 48.5 m-85 -127.18 125.86 41.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 74.31 109.592 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.467 ' C ' ' HG3' ' A' ' 71' ' ' ARG . 5.6 ttm -141.24 147.85 38.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.002 . . . . 63.32 110.762 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' NE ' ' CE1' ' A' ' 84' ' ' HIS . 48.2 mtt180 -147.64 144.36 28.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.401 -0.812 . . . . 74.52 109.899 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -148.81 157.15 43.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -0.955 . . . . 73.42 109.94 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -98.5 150.11 22.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -0.883 . . . . 75.43 109.731 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG13 ' HB2' ' A' ' 38' ' ' ALA . 13.8 t -124.22 138.39 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 62.42 110.46 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.66 119.7 34.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.267 -0.895 . . . . 60.24 110.243 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 53.5 p -111.15 172.99 6.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.915 . . . . 74.54 110.29 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.44 -14.37 60.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 72.32 110.276 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.65 -27.83 12.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -0.882 . . . . 50.31 110.389 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -173.91 -159.65 0.1 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.254 -0.904 . . . . 73.5 110.254 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 74' ' ' VAL . 4.8 mt -132.41 142.49 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 60.14 109.952 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -136.89 154.68 50.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 43.34 110.758 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 8.7 tt -115.1 138.16 51.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 71.53 109.616 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HG22 ' A' ' 103' ' ' VAL . 12.3 t -104.92 138.01 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.092 -1.005 . . . . 74.32 111.213 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.605 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.79 117.89 20.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.547 -0.72 . . . . 63.32 109.547 179.289 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.6 pp -132.12 153.38 50.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.977 -1.077 . . . . 74.14 110.975 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' O ' HG12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -132.05 119.16 20.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.408 -0.807 . . . . 73.32 109.512 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -118.97 148.82 42.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.948 . . . . 74.4 110.549 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' ' OD2' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -134.47 143.09 47.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.38 -0.825 . . . . 62.22 110.163 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -102.39 139.54 37.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 74.11 110.098 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' LYS . 30.8 p -126.77 146.52 50.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.172 -0.955 . . . . 72.21 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 0.4 OUTLIER 59.7 127.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.341 -0.849 . . . . 75.42 110.417 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 2.7 pt20 38.64 -158.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.671 -0.643 . . . . 65.04 110.538 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -101.09 47.37 0.91 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.247 -0.908 . . . . 64.02 110.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.32 175.5 0.97 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 72.33 110.027 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 130.96 85.78 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.229 -0.919 . . . . 73.23 110.093 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -60.66 145.01 99.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.886 1.466 . . . . 75.04 110.126 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.0 p-10 -112.12 141.93 45.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -0.937 . . . . 73.23 109.975 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -72.1 131.54 42.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 61.25 110.473 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 86' ' ' GLU . 2.6 pt -114.34 -19.45 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.817 . . . . 55.31 109.549 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 31.3 m-20 -147.43 129.9 15.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 75.42 109.813 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -147.54 117.47 7.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.931 . . . . 70.14 110.203 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 7.6 p90 -145.23 153.36 41.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.215 -0.928 . . . . 73.4 110.272 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 82' ' ' LEU . 74.4 t -122.88 148.91 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 64.45 110.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 125.08 53.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.96 . . . . 74.04 110.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 t -123.55 129.6 24.8 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.255 -0.903 . . . . 73.34 110.174 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 20.6 Cg_endo -65.89 127.72 18.36 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.885 1.466 . . . . 72.22 110.211 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.3 -19.35 39.98 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.312 -1.515 . . . . 64.02 109.312 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -115.2 169.98 8.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -1.12 . . . . 73.23 110.049 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -93.27 143.64 26.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 72.24 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.8 133.77 55.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.216 -0.927 . . . . 74.52 110.243 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -118.39 128.45 54.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 74.24 109.975 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 46.6 m-85 -82.08 139.78 34.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 73.33 110.657 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.623 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -98.02 -27.46 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.323 -0.861 . . . . 74.21 109.81 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 115' ' ' LYS . 9.9 mt -123.01 -75.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.375 -0.828 . . . . 65.21 110.097 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 71.4 110.181 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.472 -1.451 . . . . 43.3 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -153.91 29.21 0.46 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.207 -1.172 . . . . 75.43 110.362 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 86.8 m-20 -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 65.3 110.249 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -55.4 -47.38 75.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 71.33 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.62 -30.56 69.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 61.44 110.076 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -62.29 -40.34 95.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 73.21 110.003 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.18 -33.34 61.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 74.15 109.801 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.47 -44.1 97.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 73.43 110.587 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -67.21 -34.96 78.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 74.44 110.138 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -70.41 -44.48 67.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.174 -0.954 . . . . 72.34 109.768 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.68 -32.38 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.355 -0.84 . . . . 63.11 109.877 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 5.3 m -59.42 -46.26 89.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 64.42 110.162 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -71.34 -29.72 65.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.894 . . . . 53.41 109.987 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' N ' ' HG3' ' A' ' 13' ' ' MET . 31.1 t -74.03 -46.56 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.966 . . . . 55.25 110.417 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 12' ' ' SER . 12.8 pt-20 -74.22 -17.54 60.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.219 -0.926 . . . . 74.22 110.447 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -102.66 -15.48 16.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.153 -0.967 . . . . 72.33 109.991 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' OD1' HD21 ' A' ' 113' ' ' LEU . 1.3 t30 -44.3 118.54 1.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -0.804 . . . . 73.02 110.203 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -30.92 69.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.163 -0.961 . . . . 74.11 110.162 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.57 -48.35 60.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 71.52 109.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CG1' HD11 ' A' ' 113' ' ' LEU . 25.1 mm -68.99 -31.97 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.199 -0.938 . . . . 71.14 109.717 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -49.9 -33.17 16.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 74.23 109.741 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -37.2 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 74.13 109.685 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.25 -43.6 60.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.329 -0.857 . . . . 71.44 110.173 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 76' ' ' SER . 12.6 tp -83.74 -10.18 58.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.487 -0.758 . . . . 72.22 110.405 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB2' ' HD2' ' A' ' 78' ' ' LYS . 33.4 mt-30 51.4 31.83 7.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.191 -0.943 . . . . 65.22 110.375 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 11.6 p -61.75 -170.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 64.13 109.955 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -138.47 169.33 17.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.16 -0.962 . . . . 72.13 110.515 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 174.96 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.323 -0.86 . . . . 73.44 110.008 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -149.51 159.48 28.08 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.741 -1.344 . . . . 65.34 109.741 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 tt -57.15 -23.01 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -1.108 . . . . 65.34 110.237 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t -85.63 -11.94 52.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 72.43 110.09 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.7 131.97 1.41 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.387 -1.485 . . . . 52.31 109.387 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 6.3 mtpt -122.97 149.8 43.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.097 -1.237 . . . . 74.22 110.293 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.56 143.28 31.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.894 . . . . 52.14 110.811 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -119.0 128.54 54.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.429 -0.794 . . . . 63.44 109.386 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 9.8 mt -106.8 147.01 30.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 72.23 110.953 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -120.01 138.08 53.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 71.51 110.155 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.81 163.74 28.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.419 -0.801 . . . . 71.14 110.355 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 2.7 p90 -149.92 154.22 37.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.35 -0.843 . . . . 72.05 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -60.05 -127.52 0.01 OUTLIER Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.953 -1.259 . . . . 73.35 109.953 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.85 -166.83 1.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -1.157 . . . . 73.4 110.044 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -171.03 81.26 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.229 -0.92 . . . . 75.41 110.684 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -174.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.243 -0.911 . . . . 53.54 110.023 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 45' ' ' ASN . 3.4 m -45.74 -67.48 0.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -0.955 . . . . 74.11 110.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 44' ' ' THR . 1.0 OUTLIER 60.01 141.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.298 -0.876 . . . . 65.53 110.498 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 20.5 t0 -93.89 23.44 4.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 73.51 109.982 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' CB ' ' CE3' ' A' ' 48' ' ' TRP . 0.7 OUTLIER 57.5 157.6 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.288 0.566 . . . . 65.43 110.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' ' CB ' ' A' ' 47' ' ' LYS . 7.7 m-90 53.46 55.62 8.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 74.25 110.12 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -106.98 -149.92 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.261 -0.9 . . . . 65.04 110.336 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -96.66 145.43 25.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 72.13 110.241 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.43 124.96 20.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.203 -0.936 . . . . 72.14 109.834 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.05 128.97 25.58 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.158 -0.964 . . . . 71.15 110.91 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -71.19 161.59 45.36 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 124.037 1.546 . . . . 75.13 109.795 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mm -76.37 135.97 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.955 -1.091 . . . . 73.43 109.36 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.96 153.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.493 -0.754 . . . . 75.14 110.708 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.63 144.07 49.84 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 72.0 110.026 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.2 p -101.1 140.06 35.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 62.44 110.493 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -120.36 125.55 48.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.296 -0.878 . . . . 72.5 110.363 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 129.1 28.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 72.32 109.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -114.97 143.02 45.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 73.4 110.498 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -176.64 3.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.174 -0.954 . . . . 52.35 110.084 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -59.35 -14.8 13.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.942 . . . . 72.42 110.08 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 57.0 mm-40 -85.34 -13.19 50.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.299 -0.876 . . . . 71.34 110.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.25 23.44 51.46 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.84 -1.304 . . . . 40.42 109.84 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 2.7 tpp85 -94.0 121.74 35.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -1.175 . . . . 53.35 110.102 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 83.5 m -80.12 124.24 28.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 64.14 110.435 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 65' ' ' ARG . 33.2 m170 -107.44 143.08 36.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 75.2 109.846 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 136.18 54.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.168 -0.958 . . . . 54.54 110.718 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.3 m-85 -122.03 121.09 36.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.389 -0.819 . . . . 74.43 109.946 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.6 ttm -138.05 134.09 34.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -0.919 . . . . 63.3 110.338 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -144.78 144.65 31.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 70.44 110.146 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.409 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -149.13 152.1 35.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.24 -0.913 . . . . 64.22 110.095 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.687 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 7.2 m80 -92.64 159.38 15.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 73.02 110.395 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.2 t -126.34 137.73 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.366 -0.834 . . . . 64.44 110.1 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 117.85 30.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 52.21 110.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.479 ' HB2' HD21 ' A' ' 24' ' ' LEU . 8.5 t -111.51 172.84 6.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -0.843 . . . . 72.53 110.223 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -15.44 58.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 75.33 110.223 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HD2' ' HB2' ' A' ' 25' ' ' GLN . 7.7 mttt -100.06 -27.59 13.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.872 . . . . 70.25 110.529 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 175.18 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.113 -0.992 . . . . 72.52 110.478 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.81 142.7 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 55.41 110.136 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.44 156.04 49.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 32.35 110.386 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.736 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.1 tt -113.24 136.9 52.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 54.25 110.014 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.2 t -116.02 132.45 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.21 -0.931 . . . . 75.25 110.649 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 43.5 t60 -130.05 131.15 45.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.4 -0.813 . . . . 74.1 109.558 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.692 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.7 pp -140.14 149.71 43.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.981 -1.075 . . . . 72.14 111.0 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -121.52 137.65 54.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.452 -0.78 . . . . 71.14 109.35 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.48 141.41 49.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.049 -1.032 . . . . 65.31 110.956 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.44 143.87 47.8 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.361 -0.837 . . . . 65.32 109.613 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -86.48 133.81 33.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 70.13 110.234 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.52 123.4 50.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.35 -0.844 . . . . 72.51 110.019 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 53.4 169.91 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.237 -0.915 . . . . 73.33 110.152 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 16.2 tt0 -105.13 76.8 1.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.244 -0.91 . . . . 52.23 110.714 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -163.55 23.77 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.927 . . . . 52.2 110.134 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.91 175.87 3.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 70.12 110.337 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -91.06 155.34 44.89 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 72.55 110.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -49.97 154.36 5.32 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.909 1.478 . . . . 73.12 110.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.3 155.05 51.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 72.44 110.057 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.692 ' CD2' HD13 ' A' ' 85' ' ' LEU . 40.3 m-85 -80.93 139.15 36.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.237 -0.914 . . . . 71.04 110.514 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 88' ' ' LYS . 2.7 pt -118.12 -18.44 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.257 -0.902 . . . . 72.11 109.633 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -143.69 129.32 19.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.839 . . . . 63.41 109.739 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.548 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.6 121.71 8.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 71.41 110.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 31.0 p90 -147.8 156.94 43.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 64.35 110.093 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 82' ' ' LEU . 29.0 t -125.97 147.98 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 72.45 110.336 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.44 115.28 29.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 72.01 110.26 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.542 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 6.4 p -109.17 132.82 21.0 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 44.35 110.012 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -69.32 131.32 21.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 63.51 111.301 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.29 -21.19 13.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.346 -1.102 . . . . 54.24 110.346 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.542 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.5 mt-10 -119.87 158.91 25.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.956 -1.32 . . . . 73.42 110.431 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 149.4 46.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.181 -0.949 . . . . 75.2 109.795 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -70.06 136.21 50.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.234 -0.916 . . . . 73.41 110.38 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.79 130.58 56.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.345 -0.847 . . . . 71.23 109.911 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.55 ' CD2' ' CB ' ' A' ' 115' ' ' LYS . 20.5 p90 -85.26 143.99 28.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 75.33 110.34 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.544 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -95.89 -38.58 10.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 50.21 110.169 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 101' ' ' MET . 33.0 mt -106.85 -71.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 74.23 110.244 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' CB ' ' CD2' ' A' ' 112' ' ' TYR . 10.8 tttm . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 73.33 110.248 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.614 -1.394 . . . . 61.15 109.614 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 2.5 t 69.22 34.16 3.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -1.148 . . . . 71.54 110.335 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.699 ' HA ' HD12 ' A' ' 6' ' ' LEU . 12.6 m-20 -61.82 -43.11 99.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.195 -0.941 . . . . 74.1 110.032 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 m -58.87 -45.01 91.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 74.14 109.643 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.1 mt-30 -70.52 -31.05 67.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 73.45 109.825 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 3' ' ' ASP . 8.3 mt -53.87 -42.83 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 74.41 109.508 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -34.8 58.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.427 -0.796 . . . . 74.44 109.251 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.527 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 37.0 m-20 -62.28 -47.28 85.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.429 -0.795 . . . . 71.31 110.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 11.6 ptm180 -61.51 -32.3 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 73.21 110.022 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.84 -45.07 53.4 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.358 -0.839 . . . . 73.04 109.522 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.85 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.41 -30.65 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.783 . . . . 74.51 109.675 179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 t -60.13 -50.34 74.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.456 -0.778 . . . . 71.14 110.477 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 5.8 ptt? -67.41 -31.3 71.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.956 . . . . 60.01 109.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.501 HG21 ' HE3' ' A' ' 101' ' ' MET . 39.1 t -73.0 -50.83 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 72.01 110.821 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.09 -29.23 68.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.189 -0.944 . . . . 71.35 110.815 -179.286 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 16.3 ptpt -86.84 -14.41 42.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.083 . . . . 61.11 109.854 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.735 ' ND2' HD11 ' A' ' 113' ' ' LEU . 0.7 OUTLIER -53.78 108.59 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 73.24 110.182 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -57.36 -34.22 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 54.13 110.008 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.523 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 35.3 m-20 -60.66 -49.23 78.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 72.13 109.734 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.04 -37.13 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 61.42 109.84 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -53.16 -34.11 55.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 73.02 109.481 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.1 p -58.43 -39.2 79.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 72.13 109.421 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.95 -42.67 72.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.631 -0.668 . . . . 73.1 109.314 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -79.35 -10.44 59.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 73.34 110.107 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' ARG . 12.7 mt-30 48.39 34.8 5.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 74.31 109.916 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 71.21 110.575 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -87.99 166.98 14.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -0.871 . . . . 74.41 110.561 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 3.4 t0 177.28 85.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.326 -0.859 . . . . 71.42 109.945 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . -166.29 158.77 31.84 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.383 -1.487 . . . . 32.05 109.383 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 tp -55.93 -22.88 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -1.151 . . . . 73.1 110.449 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -102.21 -3.38 27.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.169 -0.957 . . . . 73.21 110.406 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -167.8 113.03 0.52 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.323 -1.511 . . . . 64.21 109.323 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -118.38 145.41 45.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.378 -1.072 . . . . 72.55 110.416 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.006 ' OE1' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -77.85 134.08 38.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.291 -0.881 . . . . 51.55 110.333 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.43 116.84 28.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.853 . . . . 74.35 109.844 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.006 HD11 ' OE1' ' A' ' 34' ' ' GLU . 23.3 mt -109.44 145.69 35.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 64.41 110.529 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -115.19 131.05 57.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 73.43 109.988 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.85 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.45 158.77 30.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 71.22 110.29 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 19.0 m-85 -134.7 158.36 44.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 63.15 110.311 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -81.82 -120.39 0.55 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.752 -1.339 . . . . 73.31 109.752 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 41.9 mt-10 -66.42 178.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 70.41 110.479 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 17.6 tp -177.18 127.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 72.22 110.088 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -77.57 -170.26 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.292 -0.88 . . . . 64.32 110.225 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' THR . 1.8 t -130.28 85.34 2.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.15 -0.969 . . . . 70.3 110.317 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -149.97 -143.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 73.34 110.4 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -110.51 -177.4 3.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.243 -0.91 . . . . 71.2 110.313 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.45 -170.62 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.845 . . . . 65.13 110.232 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 4.0 p-90 -159.22 -47.17 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.294 -0.879 . . . . 71.42 109.987 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' TRP . 4.5 p 43.03 -155.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.253 -0.904 . . . . 41.01 110.103 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 152.47 18.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 71.45 110.039 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -80.71 167.9 19.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 74.3 110.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.14 156.0 86.04 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.322 -0.861 . . . . 71.13 110.057 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -65.39 160.11 44.23 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 O-C-N 124.023 1.538 . . . . 31.43 110.314 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.56 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 15.7 mm -101.94 135.69 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.426 -0.796 . . . . 43.25 109.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.1 153.27 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 54.43 110.265 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 p -120.2 148.39 43.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -0.883 . . . . 75.53 110.343 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.6 p -101.24 136.42 41.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.351 -0.843 . . . . 55.5 110.045 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -126.77 125.26 41.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.087 -1.008 . . . . 72.1 110.746 -179.749 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -131.18 124.49 30.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 75.31 109.539 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -117.39 143.99 45.41 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.084 -1.01 . . . . 73.13 110.835 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -95.52 -163.91 1.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.467 -0.771 . . . . 74.21 109.911 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -15.33 62.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 73.31 110.469 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -85.27 -11.24 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 64.14 110.535 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.35 2.43 76.86 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.625 -1.39 . . . . 52.31 109.625 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.15 121.56 20.45 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 71.12 109.975 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.409 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 99.0 m -100.8 126.23 47.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.93 . . . . 72.21 110.565 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -105.77 143.56 33.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 72.34 109.773 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -119.16 137.23 53.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 75.02 110.812 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 86' ' ' GLU . 12.0 m-85 -124.48 120.25 31.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 74.45 109.601 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 140.56 49.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.063 -1.023 . . . . 63.24 110.718 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -149.14 143.01 25.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.368 -0.833 . . . . 73.45 110.017 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 11' ' ' VAL . 10.2 p90 -147.57 169.65 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.223 -0.923 . . . . 72.2 110.311 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.669 ' CE1' HD21 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -100.94 146.41 27.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 74.22 110.37 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 38' ' ' ALA . 5.0 t -124.74 130.4 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.853 . . . . 70.12 109.385 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.26 120.05 36.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 73.43 110.735 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.791 ' OG ' HD22 ' A' ' 36' ' ' LEU . 1.6 m -117.01 165.81 12.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.369 -0.832 . . . . 62.42 109.897 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -13.53 58.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.14 110.16 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -97.27 -30.14 13.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 71.5 110.556 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 10.9 ptpt 174.58 169.63 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.247 -0.908 . . . . 72.14 110.295 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.24 134.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 71.4 109.438 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.98 157.6 27.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.164 -0.96 . . . . 54.32 110.716 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -115.97 120.68 39.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.471 -0.768 . . . . 70.12 109.276 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 HG23 ' A' ' 103' ' ' VAL . 18.2 t -110.81 130.89 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 64.44 111.368 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 4.6 t60 -130.69 129.65 42.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.547 -0.72 . . . . 64.24 109.233 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.1 pp -131.79 153.29 50.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.022 -1.049 . . . . 62.11 110.971 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.552 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -135.45 129.84 33.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.515 -0.741 . . . . 44.43 109.656 179.554 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.52 153.99 46.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.159 -0.963 . . . . 74.13 110.578 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' CD ' HD13 ' A' ' 99' ' ' ILE . 8.7 ptmt -132.75 143.17 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -0.812 . . . . 75.42 109.873 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 20.4 pt-20 -98.41 139.5 34.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.219 -0.926 . . . . 75.1 110.357 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.6 m -105.41 150.77 24.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.288 -0.882 . . . . 65.25 109.946 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -39.97 130.94 2.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.409 -0.807 . . . . 75.41 110.145 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 49.09 91.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -0.95 . . . . 71.2 109.655 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.32 24.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.169 -0.957 . . . . 63.32 110.596 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 46.21 -110.66 0.27 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.228 -0.92 . . . . 74.35 110.483 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.8 155.25 64.96 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 72.31 110.614 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.457 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 37.9 Cg_endo -74.78 165.74 30.83 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.129 1.594 . . . . 74.42 110.426 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 0.9 OUTLIER -116.89 144.78 44.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 75.21 110.121 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.835 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 55.8 m-85 -79.09 139.07 38.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 75.32 110.213 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 88' ' ' LYS . 2.6 pt -119.32 -18.99 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.309 -0.869 . . . . 70.42 110.495 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.94 128.23 21.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 65.21 110.25 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.582 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -150.46 123.01 8.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 73.41 110.347 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 15.0 p90 -147.47 156.77 43.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.079 -1.013 . . . . 71.43 110.525 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 83' ' ' VAL . 7.9 p -119.27 140.67 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 72.41 110.224 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.47 124.09 48.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 71.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.29 126.66 28.01 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.315 -0.866 . . . . 73.54 110.029 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.7 126.91 16.15 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.849 1.447 . . . . 71.23 110.491 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 -20.51 21.1 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.644 -1.382 . . . . 45.32 109.644 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -118.98 170.32 9.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -1.141 . . . . 70.44 109.947 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.08 138.55 33.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.937 . . . . 75.42 110.286 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.5 ptm180 -66.46 143.49 57.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.866 . . . . 63.31 110.215 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.1 t80 -116.16 132.96 56.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.348 -0.845 . . . . 75.43 110.137 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 10.4 p90 -82.58 147.27 28.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 73.33 110.48 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.735 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.32 -44.78 5.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.414 -0.804 . . . . 63.32 110.159 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 101' ' ' MET . 82.9 mt -104.33 -45.91 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 72.52 110.372 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 14.0 tttp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 73.12 110.199 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.497 -1.441 . . . . 53.12 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -86.67 9.85 17.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.3 -1.117 . . . . 73.35 110.136 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.2 p30 -61.76 -34.07 75.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 64.13 110.008 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.402 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 81.3 m -57.69 -43.98 85.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 55.02 109.876 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.48 -31.03 68.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.924 . . . . 62.04 109.895 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' SD ' ' A' ' 70' ' ' MET . 20.7 tp -58.31 -38.67 77.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.475 -0.765 . . . . 64.32 110.072 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.507 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.01 -33.89 57.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 75.13 109.73 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -57.56 -51.82 67.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 73.31 110.255 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.2 ptm85 -66.91 -36.33 82.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -0.888 . . . . 73.14 110.46 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.58 -42.57 86.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.902 . . . . 42.34 110.4 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.84 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.31 -33.86 47.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.366 -0.833 . . . . 42.13 110.426 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 1.7 t -56.49 -50.16 72.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 75.13 110.339 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.3 ptt? -69.86 -30.82 68.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 42.33 110.006 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 113' ' ' LEU . 55.9 t -74.87 -37.32 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 70.44 110.751 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.619 ' HB2' HD12 ' A' ' 36' ' ' LEU . 22.3 pt-20 -80.0 -19.39 47.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 71.21 110.674 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 7.3 pttp -103.46 -15.98 15.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.089 -1.007 . . . . 75.33 110.382 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 115.55 1.33 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.167 -0.958 . . . . 74.45 110.29 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.9 ptpt -61.3 -27.39 68.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 74.1 110.263 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.14 -43.02 79.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 72.52 109.969 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.563 HG13 HD21 ' A' ' 113' ' ' LEU . 41.4 mm -76.29 -37.87 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.892 . . . . 60.32 110.347 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.95 -35.33 58.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.063 -1.023 . . . . 73.44 109.808 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 22.3 m -61.98 -36.67 82.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 73.35 109.562 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.7 mt -73.27 -39.05 65.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.358 -0.839 . . . . 74.45 109.651 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -0.82 57.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 63.5 110.265 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.6 mt-30 53.11 32.63 13.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 73.11 110.072 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' GLN . 1.3 m -53.82 -169.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 70.14 110.228 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.521 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -137.88 173.71 11.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 70.53 110.491 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 170.94 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 64.12 110.11 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.84 152.91 23.48 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.575 -1.41 . . . . 54.44 109.575 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.31 -22.22 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 73.31 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 t -96.64 -0.79 47.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 75.02 110.119 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.57 114.03 0.46 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.594 -1.402 . . . . 54.35 109.594 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.16 128.41 56.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -1.069 . . . . 73.23 109.935 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 17.9 tp10 -91.56 142.92 27.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 74.14 110.605 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -128.05 119.22 24.96 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.979 -0.749 . . . . 73.24 108.979 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 15' ' ' GLU . 14.6 mt -98.97 146.22 26.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 74.04 111.169 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -120.1 129.36 54.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.715 -0.616 . . . . 75.42 109.759 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.84 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.65 143.3 50.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 71.24 110.382 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.7 p90 -147.5 161.22 41.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -0.828 . . . . 72.22 109.903 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -56.97 -160.17 0.02 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.549 -1.421 . . . . 73.2 109.549 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 19.9 pt-20 -132.38 -156.96 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -1.159 . . . . 62.21 110.228 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 1.3 mp 62.68 60.32 1.33 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 61.54 110.135 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 42' ' ' LEU . 1.1 pp -145.87 -172.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 65.34 110.339 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 45' ' ' ASN . 8.6 t -154.62 -37.4 0.09 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.224 -0.923 . . . . 73.31 110.264 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' N ' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -149.14 103.78 3.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 75.35 109.815 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 44.6 p30 -122.3 153.06 39.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 71.21 110.3 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 9.4 mmmt -123.76 -154.32 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.268 -0.895 . . . . 41.41 109.949 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.639 ' HD1' HG23 ' A' ' 49' ' ' THR . 1.9 p90 -90.94 10.4 26.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 74.12 110.041 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.639 HG23 ' HD1' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -136.26 168.38 19.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 70.3 110.225 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.7 OUTLIER 42.68 86.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 75.35 110.133 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -106.27 149.13 27.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -0.906 . . . . 72.14 110.488 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 12.6 tpt180 -86.48 119.87 71.71 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.356 -0.84 . . . . 64.41 109.86 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HD2' ' HD2' ' A' ' 52' ' ' ARG . 19.1 Cg_endo -62.21 160.12 32.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.873 1.459 . . . . 74.25 110.205 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.428 HD12 ' HA3' ' A' ' 40' ' ' GLY . 16.5 mm -85.1 139.05 18.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.381 -0.824 . . . . 74.32 110.406 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 55' ' ' VAL . 7.7 p -96.3 140.84 16.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.504 -0.748 . . . . 75.15 110.334 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.59 149.39 40.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 75.42 110.391 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.4 p -109.56 143.3 39.44 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.321 -0.862 . . . . 62.13 109.992 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -115.89 136.18 53.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 75.33 110.393 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -146.07 123.59 11.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 61.22 109.9 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.1 pp -109.73 137.22 47.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 61.21 110.275 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.15 -171.18 2.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.177 -0.952 . . . . 72.3 110.272 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -16.23 55.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -0.893 . . . . 70.55 110.176 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.3 -10.37 57.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 72.14 110.247 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.09 7.05 81.03 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.591 -1.404 . . . . 64.41 109.591 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -86.39 121.68 29.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.17 -1.194 . . . . 73.3 110.048 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.501 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 51.1 m -88.54 134.66 33.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 74.01 110.442 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -108.56 149.25 29.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.871 . . . . 73.44 110.225 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.08 141.71 48.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 74.3 110.489 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 86' ' ' GLU . 57.2 m-85 -124.19 120.04 31.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 73.21 110.008 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.433 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 4.0 ttm -133.16 134.38 44.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 74.25 110.172 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -140.9 145.27 35.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 73.13 110.609 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.65 ' CE2' HG11 ' A' ' 83' ' ' VAL . 3.4 p90 -156.92 161.48 39.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 63.13 109.938 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.662 ' ND1' HD23 ' A' ' 82' ' ' LEU . 5.2 m-70 -100.7 159.41 15.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.096 -1.002 . . . . 71.43 110.45 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 38' ' ' ALA . 60.5 t -123.68 130.69 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.383 -0.823 . . . . 44.4 109.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -106.63 118.76 37.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 63.43 110.848 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 p -112.14 174.29 5.95 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.333 -0.854 . . . . 63.22 109.486 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -79.98 -18.34 50.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.134 -0.979 . . . . 62.12 109.538 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.07 -28.07 15.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 72.11 110.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -179.05 -173.62 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 75.53 110.754 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.504 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 43.1 mt -115.12 145.07 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.82 . . . . 63.04 109.962 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.44 157.27 42.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 60.45 110.637 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 83' ' ' VAL . 3.0 tm? -112.96 128.63 56.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 62.55 109.236 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 82' ' ' LEU . 74.0 t -115.87 126.56 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 64.43 111.33 -179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.5 t-80 -129.18 139.03 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.088 -0.708 . . . . 73.31 109.088 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.719 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.5 pp -148.25 153.67 39.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.919 -1.113 . . . . 73.25 111.178 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.592 ' HG3' ' CE2' ' A' ' 69' ' ' TYR . 5.2 tt0 -124.51 135.15 52.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.545 -0.722 . . . . 44.52 109.435 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -124.68 153.83 41.71 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.975 -1.078 . . . . 54.52 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.576 ' CD ' HG21 ' A' ' 99' ' ' ILE . 1.1 ptmm? -131.22 144.08 51.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.478 -0.764 . . . . 75.35 109.703 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.501 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -90.1 138.75 31.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 75.43 111.061 -179.305 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -130.15 151.11 51.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.462 -0.774 . . . . 71.13 109.479 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -38.97 134.29 1.03 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.286 -0.884 . . . . 75.34 110.169 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER 48.67 -143.98 0.44 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 52.44 109.875 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER 68.51 9.0 7.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.15 -0.969 . . . . 73.21 110.725 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 93' ' ' ASN . 6.1 t80 67.17 -131.82 0.14 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.073 -1.017 . . . . 73.51 110.125 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -71.77 156.28 91.31 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.088 -1.007 . . . . 53.5 110.416 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HB3' ' C ' ' A' ' 88' ' ' LYS . 50.4 Cg_exo -48.86 161.22 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 124.099 1.578 . . . . 71.33 110.432 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.16 157.54 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.276 -0.89 . . . . 73.12 110.016 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.559 ' HD2' HD13 ' A' ' 85' ' ' LEU . 75.4 m-85 -88.54 136.87 32.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 74.34 110.389 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.576 HG21 ' CD ' ' A' ' 88' ' ' LYS . 4.0 pt -117.77 -12.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 74.13 109.974 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 34.0 m120 -147.62 128.28 14.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 70.24 110.14 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.734 ' HB2' HD12 ' A' ' 114' ' ' ILE . 1.8 tpt -149.88 115.21 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.339 -0.851 . . . . 55.4 109.803 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.9 p90 -147.53 151.25 36.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 75.44 110.316 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 83' ' ' VAL . 21.9 t -119.4 148.35 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 71.35 110.223 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.33 123.0 40.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 62.04 110.358 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.46 ' HB ' ' HB3' ' A' ' 108' ' ' GLU . 36.3 t -104.84 129.96 23.98 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 70.55 109.963 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.0 Cg_exo -63.11 126.79 18.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.779 1.41 . . . . 63.51 110.27 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.66 45.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.831 -1.308 . . . . 73.44 109.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -118.39 164.82 14.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 61.05 110.192 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -76.66 142.15 40.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.92 . . . . 75.21 110.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -77.21 140.62 40.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 62.44 110.738 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -121.08 127.36 51.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.804 . . . . 73.41 109.693 179.609 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 29.2 p90 -77.21 141.8 39.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.166 -0.959 . . . . 74.31 110.604 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.574 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -95.13 -35.82 11.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.368 -0.832 . . . . 74.15 110.184 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.734 HD12 ' HB2' ' A' ' 101' ' ' MET . 52.2 mt -127.04 -42.98 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 60.14 110.13 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 9.4 ttmt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 62.33 110.235 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.528 -1.429 . . . . 74.24 109.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.636 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -66.12 -9.1 28.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.328 -1.101 . . . . 63.54 110.063 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -45.89 90.41 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 75.51 110.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -54.44 -44.34 72.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.173 -0.954 . . . . 73.21 109.98 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.44 -30.81 67.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 74.51 110.035 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 2' ' ' SER . 4.0 mp -61.79 -41.93 98.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.925 . . . . 74.21 110.09 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.542 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.79 -33.59 58.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 74.04 109.663 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -54.37 -52.05 62.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.353 -0.842 . . . . 75.05 110.052 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 2.8 ptm180 -66.85 -31.43 72.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.945 . . . . 75.41 109.79 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.84 -44.09 90.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 74.11 109.475 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.95 -35.05 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.364 -0.835 . . . . 63.01 109.291 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.5 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -52.68 -49.33 65.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.338 -0.851 . . . . 63.12 109.699 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.559 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptp -70.78 -30.95 67.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.238 -0.914 . . . . 71.12 109.353 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ALA . 51.5 t -71.48 -41.14 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.481 -0.762 . . . . 71.21 110.458 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.771 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.78 -25.19 53.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.9 . . . . 74.15 110.229 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -97.37 -18.57 19.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 63.41 110.199 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 6.5 t-20 -48.45 123.44 6.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.183 -0.948 . . . . 73.34 109.897 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -62.08 -37.91 86.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 65.02 110.591 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 3.5 m-20 -61.14 -45.35 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 65.33 110.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.426 ' CG1' HD11 ' A' ' 113' ' ' LEU . 50.2 mm -68.92 -35.58 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 73.24 109.884 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -50.32 -39.23 45.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 61.31 109.535 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 m -67.4 -36.18 80.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.432 -0.793 . . . . 73.35 109.611 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 38.5 mt -73.85 -40.41 63.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 64.33 109.801 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -86.38 -8.3 57.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 53.33 110.252 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 23.4 mt-30 48.37 27.48 1.38 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 62.2 109.647 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' HB2' ' CD ' ' A' ' 34' ' ' GLU . 20.2 p -77.43 -159.59 0.15 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.774 . . . . 62.55 110.422 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.0 m-20 -116.0 159.61 21.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 64.03 110.133 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -179.28 93.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.226 -0.921 . . . . 64.24 110.19 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.74 153.72 25.18 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.489 -1.445 . . . . 23.33 109.489 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -16.65 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.387 -1.066 . . . . 53.24 110.243 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -94.86 -23.2 17.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 74.25 110.055 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.91 124.7 1.26 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.686 -1.365 . . . . 64.14 109.686 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.75 147.97 40.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -1.103 . . . . 63.54 110.191 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -84.37 143.25 29.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 60.23 110.796 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -109.54 118.2 35.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.412 -0.805 . . . . 65.04 109.978 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.891 HD22 ' OG ' ' A' ' 76' ' ' SER . 72.7 mt -109.69 146.39 34.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 71.44 110.498 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 137.16 51.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.369 -0.832 . . . . 75.31 109.971 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.666 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -129.58 163.2 26.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 64.11 110.4 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 11.0 p90 -160.21 148.09 16.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.223 -0.923 . . . . 73.3 110.34 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.02 -132.26 1.22 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.801 -1.32 . . . . 73.25 109.801 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -48.05 167.4 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.31 -1.112 . . . . 71.43 110.415 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' A' ' 52' ' ' ARG . 1.0 OUTLIER 62.13 -172.14 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.3 -0.875 . . . . 50.45 110.262 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.403 HD12 ' HB2' ' A' ' 45' ' ' ASN . 1.7 pt -130.69 -172.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.313 -0.867 . . . . 73.44 110.087 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' ASN . 6.6 m -98.16 -58.68 1.92 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 75.14 110.243 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' THR . 11.1 t-20 62.07 128.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.256 -0.903 . . . . 73.51 110.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.0 m-20 -52.35 142.88 16.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 71.12 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 60.84 -175.62 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 71.0 110.354 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 m95 55.43 21.2 4.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 65.42 110.178 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.31 159.06 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.799 . . . . 75.13 110.498 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -172.5 164.16 5.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 63.23 109.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.31 76.13 1.64 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 70.33 110.106 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.55 ' HD2' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -71.57 161.46 78.43 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.944 . . . . 75.24 110.372 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -77.14 159.35 33.61 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 124.043 1.549 . . . . 74.52 110.931 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 54' ' ' ILE . 14.4 mm -112.24 137.88 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.355 -0.841 . . . . 44.44 109.695 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.9 143.94 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.208 -0.933 . . . . 65.2 110.594 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.461 ' HB3' ' CE ' ' A' ' 70' ' ' MET . 0.5 OUTLIER -129.46 150.6 50.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.359 -0.838 . . . . 71.41 110.217 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 71.8 p -101.43 147.65 26.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 73.41 110.217 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.25 134.39 55.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 61.13 110.375 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -144.98 126.53 15.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 70.54 110.047 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.4 pp -107.09 141.88 37.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 61.23 110.456 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.98 -164.43 1.17 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.29 -0.881 . . . . 64.44 110.234 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -69.81 -12.85 61.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 74.31 110.321 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 16.9 mt-10 -89.3 -8.39 53.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 61.3 110.246 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.13 80.76 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.398 . . . . 45.05 109.604 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 23.8 ttp180 -82.49 121.76 27.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.229 -1.16 . . . . 75.11 110.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 7.5 m -84.1 130.36 34.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 73.14 110.317 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.55 143.41 39.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.198 -0.939 . . . . 62.45 110.13 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 57' ' ' THR . 21.8 m-70 -117.47 145.9 43.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 74.23 110.318 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 12.3 m-85 -121.37 131.39 54.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 54.43 109.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 56' ' ' SER . 3.2 ttm -134.46 128.25 33.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.125 -0.985 . . . . 75.23 110.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 15.2 ptm180 -133.45 142.19 48.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 72.22 110.246 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -154.76 151.46 28.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 75.41 109.992 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 73' ' ' HIS . 2.1 m-70 -89.06 150.51 22.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.93 . . . . 73.44 110.375 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 40.3 t -124.12 130.68 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 74.4 109.89 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.1 120.21 40.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 72.44 110.416 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.891 ' OG ' HD22 ' A' ' 36' ' ' LEU . 44.5 m -113.19 165.54 12.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.336 -0.852 . . . . 44.12 109.953 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -70.0 -17.85 63.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.35 110.138 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 2.3 mttm -96.88 -25.56 15.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 75.02 110.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 1.8 ttmt 177.61 -167.65 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.975 . . . . 72.51 110.499 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.72 144.34 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.402 -0.811 . . . . 73.31 109.301 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.61 155.98 46.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.041 -1.037 . . . . 54.44 111.097 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.5 tm? -113.24 125.61 54.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.517 -0.739 . . . . 63.32 109.134 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 HG22 ' A' ' 103' ' ' VAL . 27.9 t -112.93 133.36 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.92 . . . . 74.24 111.421 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 21.4 t-160 -128.7 130.43 47.14 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.039 -0.726 . . . . 64.24 109.039 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.646 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -137.25 148.58 46.55 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 74.25 111.106 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -119.79 134.87 55.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 63.15 109.449 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -129.33 151.34 50.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 64.24 110.895 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.636 ' HG2' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -128.81 144.51 51.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 75.03 109.603 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -85.67 139.75 31.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.109 -0.995 . . . . 71.22 110.702 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -90.81 151.09 21.31 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.406 -0.809 . . . . 75.42 110.119 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -43.96 169.11 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 75.1 110.296 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 2.2 tp60 65.25 -164.65 0.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 65.52 110.652 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 93' ' ' ASN . 32.8 t30 -96.68 25.7 5.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.846 . . . . 64.24 110.356 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -65.79 163.9 15.79 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.229 -0.919 . . . . 70.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -78.15 152.71 79.45 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 73.33 110.124 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.0 Cg_endo -60.56 163.88 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.995 1.524 . . . . 72.21 110.427 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 19.0 m-20 -132.71 157.74 44.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.872 . . . . 61.31 110.322 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.734 ' C ' HD13 ' A' ' 99' ' ' ILE . 62.5 m-85 -103.62 134.47 46.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 74.13 109.785 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -116.3 -24.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 72.41 109.92 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -134.36 128.94 34.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.201 -0.937 . . . . 63.22 110.212 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.429 ' HE1' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.56 118.07 6.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 62.24 110.174 179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 12.9 p90 -147.36 157.82 43.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.959 . . . . 74.31 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.732 HG22 HG13 ' A' ' 83' ' ' VAL . 54.8 t -129.07 151.21 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.199 -0.938 . . . . 62.11 110.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 110' ' ' ARG . 3.5 m-20 -101.47 115.16 29.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 72.1 110.26 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.04 117.43 67.16 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 71.44 109.727 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -59.33 126.37 20.63 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.761 1.4 . . . . 72.31 110.811 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.14 -20.13 14.59 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.337 -1.105 . . . . 34.3 110.337 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -118.4 166.04 13.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.293 . . . . 65.21 110.581 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -69.89 151.05 46.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.373 -0.829 . . . . 72.21 110.581 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -74.2 141.28 45.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 71.12 110.128 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 33.6 t80 -117.07 133.2 56.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 73.14 110.192 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -89.76 143.95 26.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 73.12 110.429 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.426 HD11 ' CG1' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.54 -39.29 7.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 64.54 109.975 179.672 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 99' ' ' ILE . 48.1 mt -119.18 -39.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 74.45 109.965 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.9 tttm . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 71.11 110.266 -179.895 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.524 -1.43 . . . . 71.32 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.693 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -104.26 -7.33 20.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -1.134 . . . . 75.33 110.236 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.76 81.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.959 . . . . 65.12 110.064 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -66.85 -34.72 78.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 54.31 109.992 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -69.75 -31.34 69.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.852 . . . . 72.33 110.102 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -62.04 -41.57 98.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.285 -0.884 . . . . 53.43 110.127 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.17 -37.0 61.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 74.13 109.658 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.8 m120 -56.16 -51.79 66.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 74.34 110.46 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 16.8 ptm180 -60.46 -37.66 81.72 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 71.23 110.243 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.56 -43.81 72.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.16 -0.962 . . . . 75.25 109.993 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.858 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -69.01 -31.61 51.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.359 -0.838 . . . . 73.0 110.08 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 35.1 m -59.8 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.855 . . . . 73.52 110.416 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 11.4 ptt? -72.03 -30.59 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.162 -0.961 . . . . 71.15 109.988 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.4 t -75.34 -41.44 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.28 -0.887 . . . . 73.02 110.797 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -75.09 -22.0 58.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.232 -0.918 . . . . 74.43 110.701 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -98.7 -15.88 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 63.4 110.453 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 31.8 t-20 -49.59 123.11 7.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 72.42 110.251 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 6.1 pttt -60.97 -32.86 72.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 62.02 110.202 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 3.3 m-20 -67.75 -42.48 81.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 72.33 110.584 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.82 -34.4 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.229 -0.919 . . . . 64.14 110.33 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 ttm180 -55.79 -37.41 68.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.878 . . . . 61.02 110.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -63.73 -40.32 96.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 64.53 109.904 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 111' ' ' TYR . 12.2 mt -73.07 -44.7 60.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 75.13 109.832 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -86.38 0.88 53.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.44 -0.788 . . . . 73.42 110.146 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CD ' ' A' ' 78' ' ' LYS . 43.5 mt-30 56.46 31.34 18.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 71.34 109.745 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' ' 36' ' ' LEU . 37.1 t -70.44 168.14 16.76 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.335 -0.853 . . . . 31.31 110.295 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' H ' ' CB ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -136.08 159.89 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.496 -0.752 . . . . 75.12 110.027 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -174.35 79.22 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.133 -0.979 . . . . 75.2 110.34 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.08 166.27 33.5 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 32.44 109.52 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.11 -17.15 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -1.195 . . . . 65.23 110.271 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -89.08 -23.16 22.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.146 -0.971 . . . . 55.55 109.782 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.15 128.82 1.74 Allowed Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.553 -1.419 . . . . 62.14 109.553 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.06 122.74 43.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -1.141 . . . . 55.24 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -102.36 143.59 31.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 74.4 110.307 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -126.93 114.77 18.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.462 -0.774 . . . . 74.43 109.341 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD11 ' SG ' ' A' ' 26' ' ' CYS . 20.1 mt -102.32 145.11 29.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 72.11 110.199 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 129.69 45.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.295 -0.878 . . . . 53.34 110.555 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 1.005 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -119.14 163.33 17.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.389 -0.819 . . . . 43.51 109.275 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -161.38 141.28 10.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.885 -1.134 . . . . 72.22 111.175 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' A' ' 54' ' ' ILE . . . -97.8 4.83 61.54 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.061 -1.616 . . . . 40.22 109.061 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.775 ' HG3' HD11 ' A' ' 54' ' ' ILE . 23.8 mt-10 -81.92 13.01 3.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.464 -1.021 . . . . 65.43 110.757 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -25.06 126.12 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.315 0.579 . . . . 74.35 111.395 -179.566 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -124.01 -167.21 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 73.05 110.741 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 44' ' ' THR . 9.0 t -174.41 43.52 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.539 -0.726 . . . . 74.52 109.849 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.456 ' O ' ' O ' ' A' ' 46' ' ' ASP . 49.1 m-80 -141.5 -137.0 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 65.31 110.82 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 45' ' ' ASN . 6.0 m-20 -56.03 -155.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.339 -0.851 . . . . 61.33 111.314 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' ASP . 3.8 mtpt -39.07 158.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.59 -0.694 . . . . 64.44 110.965 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' O ' ' O ' ' A' ' 49' ' ' THR . 66.9 p-90 -88.09 5.58 40.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.49 -0.756 . . . . 61.21 109.994 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 48' ' ' TRP . 2.5 p -46.56 175.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.395 -0.816 . . . . 73.24 110.431 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -51.86 108.68 0.29 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.249 -0.907 . . . . 73.13 109.763 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -58.93 1.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 74.04 110.799 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -102.83 119.34 55.96 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.093 -1.004 . . . . 64.35 110.686 -179.432 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.41 159.69 48.66 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 O-C-N 123.906 1.477 . . . . 74.33 109.979 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.775 HD11 ' HG3' ' A' ' 41' ' ' GLU . 48.3 mm -88.08 132.58 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 55.34 110.289 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.02 150.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.415 -0.803 . . . . 73.41 110.594 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -115.99 147.59 41.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.396 -0.815 . . . . 65.4 110.004 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.6 147.22 25.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.359 -0.838 . . . . 54.24 110.241 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 3.4 ptmt -136.63 128.71 29.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.898 . . . . 72.43 110.577 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -142.28 134.61 27.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 70.32 109.65 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.537 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -121.81 147.28 46.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.985 . . . . 64.34 110.993 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.1 -169.58 2.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.376 -0.828 . . . . 73.12 109.572 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 62' ' ' LYS . 8.3 mmtm -70.48 -7.65 45.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.072 -1.017 . . . . 73.34 109.889 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -87.03 -13.62 43.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.388 -0.82 . . . . 75.55 110.3 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.83 5.18 68.76 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.621 -1.392 . . . . 62.32 109.621 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.35 121.89 27.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.159 -1.201 . . . . 74.32 110.212 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 22.1 m -91.8 137.07 32.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 61.53 110.543 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -113.18 147.42 37.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 61.35 109.705 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 10.3 t-80 -123.33 136.92 54.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.104 -0.998 . . . . 73.23 110.827 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 73.5 m-85 -125.67 121.74 34.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.444 -0.785 . . . . 74.44 109.939 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HE1' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -139.75 144.85 37.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 64.52 110.467 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' HD3' ' CE1' ' A' ' 84' ' ' HIS . 10.9 ptp180 -146.12 149.04 33.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -0.911 . . . . 74.11 110.142 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 11.5 p90 -159.31 152.08 21.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.286 -0.884 . . . . 71.24 110.205 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -88.59 155.78 19.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 75.14 110.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 38' ' ' ALA . 2.7 t -125.85 131.19 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 51.23 109.984 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -109.33 117.93 35.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.94 . . . . 73.21 110.338 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.626 ' HB2' HD22 ' A' ' 36' ' ' LEU . 82.4 p -110.04 170.79 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.196 -0.94 . . . . 64.5 110.351 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -70.63 -13.37 62.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.318 -0.864 . . . . 72.41 110.137 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -103.35 -23.65 13.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 73.33 110.586 -179.598 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HD2' ' HG2' ' A' ' 106' ' ' PRO . 4.3 ttmt 175.44 -169.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 73.41 110.414 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.2 141.62 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 70.34 109.83 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.69 43.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 75.41 110.581 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 20.6 tp -113.37 129.84 56.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 75.14 109.431 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 103' ' ' VAL . 58.5 t -110.45 133.35 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 62.34 111.067 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . 2.1 m-70 -129.2 120.38 25.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 75.44 109.344 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.629 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 pp -130.67 152.03 50.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.035 -1.04 . . . . 72.44 110.996 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -127.92 123.35 34.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.455 -0.778 . . . . 71.24 109.468 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.67 150.8 42.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.027 -1.045 . . . . 60.44 111.266 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.74 145.28 48.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.691 -0.631 . . . . 72.43 109.357 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 15.1 pt-20 -84.46 139.57 32.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.07 -1.019 . . . . 72.04 110.236 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.83 148.44 28.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 74.02 110.398 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.99 -155.36 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 72.01 110.456 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -116.32 163.73 15.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.353 -0.842 . . . . 74.43 109.829 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 46.91 40.93 9.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.119 -0.988 . . . . 75.52 109.747 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.84 153.21 48.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.38 -0.825 . . . . 75.24 109.783 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -73.6 158.25 86.58 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.184 -0.948 . . . . 64.24 109.881 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -65.34 145.21 82.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.961 1.506 . . . . 74.23 110.044 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 137.84 51.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 42.33 110.322 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 85' ' ' LEU . 77.0 m-85 -83.16 138.66 33.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 63.53 109.814 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.446 HD13 ' HG2' ' A' ' 88' ' ' LYS . 4.8 pt -122.92 -17.28 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.086 -1.009 . . . . 71.45 110.519 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -153.53 129.26 10.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.942 . . . . 75.33 110.117 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.622 ' HE3' ' HB3' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.22 123.79 9.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 62.53 110.197 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 84' ' ' HIS . 34.8 p90 -147.41 154.5 40.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -0.922 . . . . 74.3 110.466 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 83' ' ' VAL . 93.3 t -123.52 147.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 62.53 110.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.16 115.15 29.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.173 -0.955 . . . . 64.45 110.167 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.63 129.24 27.13 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.878 . . . . 71.42 110.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 19.6 Cg_endo -64.39 126.15 16.41 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.892 1.469 . . . . 63.21 110.208 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.43 -18.11 20.58 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.087 -1.205 . . . . 61.54 110.087 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.437 ' OE2' HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -118.77 170.07 9.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.244 . . . . 70.1 110.565 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -83.42 143.27 30.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 73.14 110.208 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.6 ptt180 -66.73 135.9 54.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 62.53 110.459 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.701 ' CD2' HD11 ' A' ' 23' ' ' LEU . 3.1 t80 -107.15 132.22 53.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.889 . . . . 60.05 109.996 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 18.9 p90 -87.2 131.18 34.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -0.896 . . . . 63.14 110.429 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.523 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -82.87 -41.24 19.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 42.33 109.682 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 65.4 mt -111.79 -82.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.805 . . . . 72.11 109.977 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 1.3 ttpt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 35.15 110.22 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.512 -1.435 . . . . 53.12 109.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -96.44 19.59 11.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.199 -1.177 . . . . 73.35 110.048 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.43 -45.96 88.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.193 -0.942 . . . . 64.13 110.151 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.6 m -58.11 -49.68 76.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 55.02 109.962 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.01 -30.52 35.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 62.04 109.908 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -41.93 99.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 64.32 110.023 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.57 -33.48 58.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.284 -0.885 . . . . 75.13 109.763 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.86 -45.93 74.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 73.31 110.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 12.5 ptm180 -74.12 -33.61 63.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 73.14 110.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.55 -43.52 72.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 42.34 109.832 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.943 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.23 -33.86 66.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.188 -0.945 . . . . 42.13 109.956 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.5 t -65.79 -43.65 88.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 75.13 110.403 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.8 ptp -70.31 -31.72 69.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 42.33 110.189 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 13' ' ' MET . 27.3 t -75.22 -47.12 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.192 -0.942 . . . . 70.44 110.613 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.783 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.6 pp20? -62.47 -27.22 68.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.22 -0.925 . . . . 71.21 110.332 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -94.26 -17.02 23.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.093 -1.004 . . . . 75.33 110.041 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.84 115.72 1.37 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.857 . . . . 74.45 110.243 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -58.8 -29.38 66.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.896 . . . . 74.1 109.945 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -67.88 -48.48 65.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 72.52 109.911 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.433 HD11 ' CD1' ' A' ' 111' ' ' TYR . 22.7 mm -70.31 -37.76 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 60.32 109.829 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' GLN . 16.5 ttm180 -51.12 -35.43 35.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 73.44 109.814 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -61.65 -40.98 96.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 73.35 109.965 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.54 -35.61 65.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.311 -0.868 . . . . 74.45 109.812 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -95.51 0.99 53.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.559 -0.713 . . . . 63.5 110.925 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . 45.7 mt-30 51.46 36.02 15.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 73.11 109.534 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 27' ' ' ASP . 10.0 t -76.57 164.66 25.72 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.388 -0.82 . . . . 70.14 110.439 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m-20 -130.28 165.81 21.67 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 70.53 109.775 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 53.1 t0 -176.71 80.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.12 -0.988 . . . . 64.12 110.243 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.26 168.47 31.42 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.518 -1.433 . . . . 54.44 109.518 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.4 tt -61.08 -19.65 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -1.091 . . . . 73.31 110.144 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -91.95 -17.48 25.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 75.02 110.115 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.62 128.17 1.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.502 -1.439 . . . . 54.35 109.502 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -124.0 127.2 47.56 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -1.164 . . . . 73.23 110.204 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CB ' ' H ' ' A' ' 27' ' ' ASP . 46.0 tp10 -103.1 139.44 38.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.235 -0.916 . . . . 74.14 110.121 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -117.24 123.69 47.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.246 -0.909 . . . . 73.24 110.153 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.3 mt -108.41 146.46 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.871 . . . . 74.04 110.34 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -116.29 132.61 56.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 75.42 110.264 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.943 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -142.17 152.36 43.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 71.24 110.158 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.74 168.93 25.93 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 72.22 110.303 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.64 -150.27 0.03 OUTLIER Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.819 -1.312 . . . . 73.2 109.819 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 19.4 pt-20 -81.79 130.84 35.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -1.08 . . . . 62.21 110.322 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD13 ' HD3' ' A' ' 52' ' ' ARG . 1.8 tt -174.13 128.69 0.37 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 61.54 110.177 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 44' ' ' THR . 3.2 pt -131.37 -168.01 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.204 -0.935 . . . . 65.34 110.378 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 4.4 m 65.94 36.63 5.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.413 -0.804 . . . . 73.31 110.358 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 44' ' ' THR . 45.0 m-20 58.03 128.92 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.461 -0.774 . . . . 75.35 110.736 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 58.0 p-10 -85.6 168.36 14.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 71.21 110.21 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -117.03 -170.66 1.88 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.219 -0.926 . . . . 41.41 109.932 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -118.19 -12.5 9.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 74.12 110.162 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -93.87 164.83 12.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 70.3 110.09 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' THR . 5.2 mtm180 55.12 -164.43 0.12 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.277 -0.889 . . . . 75.35 110.173 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.21 163.61 39.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.217 -0.927 . . . . 72.14 110.368 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HD3' HD13 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -123.85 124.42 26.07 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 64.41 110.097 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.07 159.63 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 O-C-N 123.897 1.472 . . . . 74.25 111.158 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 54' ' ' ILE . 20.8 mm -104.16 140.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.515 -0.741 . . . . 74.32 109.402 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.0 p -95.26 145.45 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.901 -1.124 . . . . 75.15 110.844 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.61 150.3 51.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.75 -0.594 . . . . 75.42 110.04 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 16.6 p -110.67 147.78 33.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.855 . . . . 62.13 110.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 2.0 ptmt -129.35 131.78 46.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.906 . . . . 75.33 110.297 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.74 126.0 14.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.374 -0.829 . . . . 61.22 110.132 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -94.05 136.47 34.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.314 -0.866 . . . . 61.21 110.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.56 -165.5 1.32 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.192 -0.942 . . . . 72.3 110.291 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -14.02 62.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.427 -0.796 . . . . 70.55 110.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.76 -11.09 40.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.343 -0.848 . . . . 72.14 110.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.34 19.28 46.25 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.7 -1.36 . . . . 64.41 109.7 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 2.2 ttp180 -96.62 123.13 40.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -1.22 . . . . 73.3 110.207 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.51 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 99.2 m -76.55 134.86 39.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 74.01 110.245 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 27.3 m-70 -109.38 147.95 31.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.295 -0.878 . . . . 73.44 110.095 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 57' ' ' THR . 11.8 m-70 -123.67 136.99 54.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 74.3 110.447 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 29.9 m-85 -123.35 124.61 43.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.899 . . . . 73.21 110.02 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 tpp -143.65 145.42 32.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.892 . . . . 74.25 110.342 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -150.34 152.11 33.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 73.13 110.252 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 2.5 p90 -153.94 152.94 31.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.264 -0.898 . . . . 63.13 110.104 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.68 ' CE1' HD11 ' A' ' 82' ' ' LEU . 10.9 m-70 -93.04 158.67 15.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 71.43 110.505 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 38' ' ' ALA . 30.6 t -128.45 130.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 44.4 109.752 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -104.47 123.62 47.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 63.43 110.684 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.449 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 18.8 t -117.01 168.94 9.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.431 -0.793 . . . . 63.22 109.914 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.88 -13.58 60.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 62.12 110.429 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.87 -28.21 12.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 72.11 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 24' ' ' LEU . 2.6 ptpt -178.22 -175.23 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.145 -0.972 . . . . 75.53 110.312 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 8.6 mt -114.75 143.83 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 63.04 110.046 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.93 156.09 46.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 60.45 110.662 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.68 HD11 ' CE1' ' A' ' 73' ' ' HIS . 1.4 tt -119.11 125.35 49.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.444 -0.785 . . . . 62.55 109.713 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 93.8 t -111.7 133.68 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.351 -0.843 . . . . 64.43 111.159 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 71' ' ' ARG . 2.8 t-80 -130.64 128.49 41.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.534 -0.728 . . . . 73.31 109.626 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.91 153.09 48.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 73.25 110.934 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.42 130.21 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -0.788 . . . . 44.52 109.753 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -127.36 142.1 51.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 54.52 110.581 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HE2' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -129.79 144.61 51.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 75.35 110.535 -179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -91.21 129.83 37.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.87 . . . . 75.43 109.783 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -114.17 128.28 56.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.145 -0.972 . . . . 71.13 110.721 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 1.1 tmmt? 39.05 -89.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.673 -0.642 . . . . 75.34 111.048 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' SER . 2.7 tt0 -103.59 -145.59 0.37 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.652 -1.28 . . . . 52.44 110.303 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 95' ' ' GLN . 20.4 m120 57.74 73.15 0.48 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.201 -0.937 . . . . 73.21 109.694 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 94' ' ' TYR . 1.3 t80 -41.02 -28.7 0.09 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.102 0.953 . . . . 73.51 110.566 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' ASN . 60.6 mt-30 -85.99 114.34 56.58 Favored Pre-proline 0 C--N 1.281 -2.373 0 O-C-N 121.791 -0.568 . . . . 53.5 109.982 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.463 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 24.7 Cg_exo -58.02 163.09 10.18 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 O-C-N 124.031 1.542 . . . . 71.33 110.07 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.22 133.93 54.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 73.12 110.491 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 85' ' ' LEU . 26.4 m-85 -60.65 130.32 45.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.355 -0.84 . . . . 74.34 110.223 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 pt -118.6 -14.02 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 74.13 110.075 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -154.78 129.7 9.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.31 -0.869 . . . . 70.24 109.853 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.874 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -148.53 121.13 8.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 55.4 110.623 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 53.5 p90 -147.43 152.47 38.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.23 -0.919 . . . . 75.44 110.376 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.8 p -119.22 148.04 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 71.35 110.029 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -112.1 124.94 53.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 62.04 110.372 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.11 126.93 28.22 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 70.55 109.892 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' CD ' ' O ' ' A' ' 80' ' ' ILE . 38.9 Cg_exo -55.78 126.46 22.52 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.883 1.465 . . . . 63.51 110.552 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.08 -19.98 18.86 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.189 -1.164 . . . . 73.44 110.189 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 170.0 9.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.954 -1.321 . . . . 61.05 110.713 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -81.34 149.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.88 . . . . 75.21 110.103 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 16.4 ptp180 -71.24 143.91 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 62.44 110.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 15.7 t80 -111.47 132.97 54.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.249 -0.907 . . . . 73.41 110.259 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.5 p90 -84.3 129.81 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -0.913 . . . . 74.31 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -88.17 -33.95 18.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -0.906 . . . . 74.15 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 101' ' ' MET . 89.7 mt -111.69 -52.77 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 60.14 110.135 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 62.33 110.273 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.481 -1.448 . . . . 74.32 109.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.52 20.38 14.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -1.168 . . . . 73.32 110.191 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 2.1 p30 -57.53 -39.28 76.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 73.24 110.073 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 20.9 m -68.74 -34.07 74.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.882 . . . . 72.24 109.845 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.44 -37.59 83.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 73.31 110.04 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -42.28 76.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 74.24 110.165 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.38 -33.23 58.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.291 -0.881 . . . . 75.24 109.922 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.28 -49.75 75.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 72.31 110.678 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -68.21 -33.42 74.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.136 -0.978 . . . . 74.21 110.588 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.12 -42.27 76.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.165 -0.959 . . . . 41.45 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.59 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.62 -31.2 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 73.31 109.977 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -53.89 -48.63 69.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.257 -0.902 . . . . 75.13 110.062 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.1 ptm -71.71 -30.6 65.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 50.32 109.794 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 13' ' ' MET . 20.1 t -72.49 -39.54 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.432 -0.793 . . . . 54.13 110.87 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -80.45 -20.76 43.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.168 -0.957 . . . . 74.33 110.772 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -96.62 -15.72 21.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.086 -1.009 . . . . 74.41 110.525 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.672 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.9 t30 -47.02 124.23 6.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.198 -0.939 . . . . 71.34 110.248 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.5 mmtm -66.04 -35.34 80.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.16 -0.962 . . . . 64.44 110.145 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -66.73 -45.26 79.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.244 -0.91 . . . . 74.44 110.0 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 50.4 mm -67.16 -32.54 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 72.32 110.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -57.58 -33.19 67.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.225 -0.922 . . . . 73.45 109.81 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.542 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -64.95 -40.85 95.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.323 -0.861 . . . . 72.15 109.842 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . 38.7 mt -73.5 -37.11 65.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 74.25 109.428 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' SG ' ' A' ' 26' ' ' CYS . 14.3 tp -84.39 -0.96 54.67 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 72.52 110.264 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 50.95 31.5 6.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 73.32 110.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.788 ' SG ' HD23 ' A' ' 24' ' ' LEU . 18.5 m -75.86 176.22 8.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 65.23 110.401 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -125.85 168.07 14.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 54.53 110.071 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -178.34 91.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 54.21 110.204 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 163.0 26.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.407 -1.477 . . . . 72.13 109.407 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.419 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.8 tp -61.1 -18.06 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 64.33 110.206 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.09 -17.68 21.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 75.52 109.908 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.46 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -167.47 133.39 2.89 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.276 -1.53 . . . . 73.13 109.276 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CE ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -129.03 130.6 46.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -1.164 . . . . 70.15 110.127 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 143.11 35.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 62.14 110.541 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -120.44 123.88 44.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.478 -0.764 . . . . 54.03 109.644 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 26' ' ' CYS . 16.6 mt -107.35 146.52 31.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 74.1 110.555 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 140.78 51.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.378 -0.826 . . . . 72.1 110.245 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -130.09 164.22 24.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 70.45 110.144 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.588 ' CD2' HG21 ' A' ' 43' ' ' ILE . 8.6 p90 -156.59 165.71 35.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.253 -0.904 . . . . 63.44 110.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -57.55 -159.78 0.02 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.641 -1.383 . . . . 72.34 109.641 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -104.33 10.18 35.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.235 -1.156 . . . . 74.23 110.21 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.13 56.26 3.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 71.34 110.125 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' A' ' 39' ' ' TYR . 1.2 pp -129.34 177.39 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.294 -0.879 . . . . 73.51 110.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.5 t -143.14 -33.68 0.44 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.266 -0.897 . . . . 64.32 110.605 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 8.7 t30 -143.8 26.59 1.55 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.113 -0.992 . . . . 75.45 110.408 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER 66.48 132.75 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.179 -0.951 . . . . 74.53 110.334 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -178.44 -151.64 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.436 -0.79 . . . . 71.33 110.039 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -122.72 -12.09 8.12 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.186 -0.946 . . . . 75.52 109.888 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 48' ' ' TRP . 33.9 p 43.0 -166.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.301 -0.874 . . . . 63.51 110.392 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.65 63.64 1.2 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 74.11 110.126 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.44 74.0 0.46 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.374 -0.829 . . . . 74.52 110.144 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 141.77 34.07 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 61.44 110.234 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -68.6 159.66 52.64 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 123.953 1.502 . . . . 74.02 110.132 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.2 mm -113.4 138.49 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.279 -0.888 . . . . 64.12 110.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.2 t -96.58 139.17 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.857 . . . . 70.11 110.09 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -123.49 149.32 45.3 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.268 -0.895 . . . . 73.05 110.248 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 43.5 p -107.38 139.22 42.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.296 -0.878 . . . . 64.22 110.198 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -126.13 127.02 45.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 73.14 110.202 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 129.24 28.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 75.22 109.874 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.9 pp -97.15 136.73 37.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.184 -0.947 . . . . 45.33 110.388 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.13 -176.08 5.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 74.21 109.892 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -15.64 10.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.165 -0.96 . . . . 73.34 110.041 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.86 -13.07 58.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 63.31 110.181 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 7.13 76.83 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.764 -1.334 . . . . 63.15 109.764 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 10.2 ttm180 -91.18 121.78 33.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.236 . . . . 75.34 110.03 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 58' ' ' LYS . 70.8 m -76.5 131.61 39.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 61.15 110.585 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 8.7 m-70 -105.93 142.82 34.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.325 -0.859 . . . . 70.41 109.801 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.4 m-70 -116.83 137.21 52.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 73.42 110.452 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 18.5 m-85 -123.73 127.6 48.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 65.45 110.147 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.16 129.31 31.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 75.31 110.32 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.68 144.45 41.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -0.959 . . . . 74.25 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.2 p90 -153.33 159.67 42.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 65.42 109.865 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m80 -98.01 157.52 16.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 65.4 110.759 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 38' ' ' ALA . 78.6 t -123.92 140.43 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.471 -0.768 . . . . 72.33 109.488 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' OE2' ' OD1' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -107.96 126.99 53.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.031 -1.043 . . . . 74.13 110.777 -179.443 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.455 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.93 177.08 4.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 65.14 109.752 179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -79.72 -13.48 59.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 75.24 110.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -24.24 11.95 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.113 -0.992 . . . . 64.21 110.676 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -175.84 -160.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.03 -1.044 . . . . 74.42 110.552 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 80' ' ' ILE . 5.5 mt -129.91 133.59 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 74.42 109.95 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.92 157.54 25.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.121 -0.987 . . . . 75.24 110.507 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.658 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -112.92 136.73 52.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 71.23 109.513 179.635 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 73.2 t -110.94 135.48 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.193 -0.942 . . . . 72.23 110.735 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' HD22 ' A' ' 82' ' ' LEU . 10.6 m-70 -129.38 117.77 21.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.391 -0.818 . . . . 73.4 109.909 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.36 152.62 48.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 60.23 110.252 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 tt0 -131.49 132.04 43.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 73.22 110.258 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.0 147.68 50.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 75.21 109.899 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 99' ' ' ILE . 1.5 ptmm? -134.29 144.23 48.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.153 -0.967 . . . . 61.43 110.574 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -86.53 135.15 33.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.444 -0.785 . . . . 61.05 110.117 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 91' ' ' LYS . 84.2 p -129.84 139.4 51.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.124 -0.985 . . . . 62.45 110.57 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 90' ' ' SER . 18.7 tptm 57.76 124.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.392 -0.818 . . . . 71.22 110.959 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 91' ' ' LYS . 4.0 tt0 41.55 -160.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.304 -0.873 . . . . 73.22 110.409 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' TYR . 1.3 m-80 -88.38 24.43 1.92 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 75.43 109.979 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -44.11 161.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 65.24 110.095 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.496 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 91.4 mm-40 -70.1 140.79 88.48 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.186 -0.946 . . . . 75.52 110.105 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 95' ' ' GLN . 17.1 Cg_exo -62.63 144.95 95.05 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.942 1.496 . . . . 65.41 110.434 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -111.54 128.77 56.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 63.32 109.87 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 29.4 m-85 -58.66 123.88 17.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.98 . . . . 65.34 110.021 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.786 HG21 ' HD3' ' A' ' 88' ' ' LYS . 6.3 pt -111.93 -14.98 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 64.55 110.159 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 71.2 m-80 -149.05 128.9 13.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 70.23 109.931 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.73 ' CB ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -149.62 119.66 7.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 73.33 110.608 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 49.7 p90 -147.52 163.87 35.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 72.52 109.952 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 82' ' ' LEU . 80.7 t -127.1 151.61 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 73.54 110.475 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -109.55 118.3 36.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.483 -0.761 . . . . 72.23 110.126 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.73 127.68 26.56 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 74.22 110.179 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.37 131.16 18.49 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.883 1.465 . . . . 73.22 110.534 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.84 -19.57 28.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.035 -1.226 . . . . 70.33 110.035 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -117.14 168.46 10.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.034 -1.274 . . . . 53.32 110.453 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.4 135.05 36.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 75.41 110.076 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -55.46 133.73 50.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.91 . . . . 72.51 110.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.534 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.2 t80 -119.97 111.57 18.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 73.04 110.096 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 43.4 p90 -75.94 144.44 41.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.111 -0.993 . . . . 73.25 110.195 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.672 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -94.4 -48.23 6.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.942 . . . . 64.51 110.523 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.73 HD12 ' CB ' ' A' ' 101' ' ' MET . 91.9 mt -101.45 -73.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 74.45 110.299 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' CB ' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.127 -0.983 . . . . 72.1 110.211 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.578 -1.409 . . . . 64.44 109.578 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -104.35 2.48 31.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -1.144 . . . . 74.15 110.167 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.49 -40.75 76.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 70.45 110.195 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -55.9 -46.83 78.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 72.21 110.238 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 37.5 mt-30 -60.92 -35.57 77.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.312 -0.867 . . . . 71.43 109.934 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.85 -46.11 71.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.399 -0.813 . . . . 72.31 109.89 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.637 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.41 -33.17 64.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.35 -0.844 . . . . 74.41 109.608 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' SER . 31.3 m-20 -53.61 -48.83 68.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 72.25 110.375 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.7 ptm180 -72.09 -33.35 67.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 75.41 110.351 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.37 -45.98 61.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 45.22 109.545 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' CE2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -71.21 -32.99 49.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.387 -0.821 . . . . 70.2 109.921 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 30.5 t -59.4 -50.64 73.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 73.2 110.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.1 ptp -65.23 -31.59 72.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 73.04 109.854 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.687 HG21 ' HE3' ' A' ' 101' ' ' MET . 40.9 t -74.06 -51.71 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 60.42 110.344 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.3 pt-20 -62.55 -21.46 65.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 65.44 110.117 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -102.22 -14.38 17.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 71.11 109.838 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.7 OUTLIER -42.0 128.68 3.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.406 -0.809 . . . . 62.11 110.527 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -66.46 -45.05 81.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 74.23 109.764 179.744 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.16 92.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.739 -0.601 . . . . 71.1 110.359 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 48.2 mm -72.32 -32.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.932 . . . . 71.4 109.878 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 2.1 ttt-85 -51.14 -37.78 48.2 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.911 . . . . 73.04 109.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -29.51 67.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.402 -0.811 . . . . 71.21 109.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ILE . 51.3 mt -73.4 -45.14 56.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 73.33 109.454 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 81' ' ' ALA . 1.2 mm? -87.4 -9.73 53.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.448 -0.783 . . . . 74.14 110.0 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.3 mt-30 57.57 31.6 20.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.262 -0.899 . . . . 75.43 110.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -89.17 175.9 7.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 75.42 110.22 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -100.25 150.65 22.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 71.11 110.573 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 28' ' ' ASP . 40.7 t0 -173.45 75.89 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.365 -0.835 . . . . 70.13 110.107 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -146.71 175.39 26.15 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.559 -1.416 . . . . 54.2 109.559 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 tt -65.65 -21.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.286 -1.126 . . . . 73.3 110.445 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -87.52 -23.0 24.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.195 -0.941 . . . . 74.41 110.19 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' C ' ' HG3' ' A' ' 33' ' ' LYS . . . -176.77 136.06 3.06 Favored Glycine 0 N--CA 1.485 1.922 0 C-N-CA 119.453 -1.356 . . . . 61.01 109.769 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -128.32 156.95 42.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.336 -1.096 . . . . 70.41 109.967 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB2' ' H ' ' A' ' 27' ' ' ASP . 15.0 tp10 -105.96 142.95 34.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 51.14 110.264 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 121.87 40.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.355 -0.841 . . . . 74.1 110.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 15' ' ' GLU . 10.7 mt -110.09 147.25 33.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 74.3 110.859 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -114.88 134.72 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 64.14 110.307 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.841 ' CB ' HG22 ' A' ' 74' ' ' VAL . . . -140.08 160.21 40.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 71.24 110.232 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 8.0 p90 -150.81 171.68 16.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 73.21 110.245 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -79.13 -168.69 35.78 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.735 -1.346 . . . . 72.4 109.735 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -145.18 136.84 25.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.42 -1.047 . . . . 51.14 110.255 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.05 108.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 75.11 110.284 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' ' HB ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -145.41 136.73 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.877 . . . . 64.33 110.155 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 14.5 t -178.36 32.9 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.365 -0.834 . . . . 63.03 110.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -154.18 -151.61 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.178 -0.951 . . . . 61.2 110.279 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' LYS . 2.3 m-20 -123.83 147.15 47.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.074 -1.016 . . . . 64.11 110.581 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' ASP . 10.4 mmtp 40.73 -159.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.465 -0.772 . . . . 74.51 110.876 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 11.7 m0 48.68 48.08 20.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.512 -0.743 . . . . 63.3 110.427 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -120.08 -80.0 0.61 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.514 -0.741 . . . . 74.51 109.417 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.528 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.48 65.08 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.227 0.537 . . . . 74.54 111.791 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER 64.64 86.99 0.12 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.088 -1.008 . . . . 73.01 110.188 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.11 166.35 31.84 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.194 -0.941 . . . . 74.13 110.522 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.6 160.19 49.18 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.158 1.609 . . . . 74.34 110.478 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 54' ' ' ILE . 23.9 mm -81.01 130.57 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.797 . . . . 53.52 110.432 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.428 ' HB ' HD13 ' A' ' 42' ' ' LEU . 7.0 t -114.76 149.73 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.338 -0.851 . . . . 71.22 109.937 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.6 144.43 50.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.244 -0.91 . . . . 61.31 110.385 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -103.5 141.93 35.15 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.257 -0.902 . . . . 65.44 110.368 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -131.39 125.99 34.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 74.42 110.182 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -128.66 135.86 49.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 65.01 110.182 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.18 136.83 54.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 62.05 110.231 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -171.89 2.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 25.32 110.259 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -61.72 -15.99 45.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 54.02 110.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.91 -13.24 59.52 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.107 -0.996 . . . . 74.14 110.244 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.83 11.54 82.62 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.535 -1.426 . . . . 74.2 109.535 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.1 ttt180 -83.93 123.81 30.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -1.113 . . . . 73.32 109.946 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 18.2 m -81.48 134.21 35.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.258 -0.901 . . . . 73.23 110.71 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.606 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.13 142.38 47.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.462 -0.774 . . . . 74.21 109.606 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 7.8 t-80 -128.53 138.83 52.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.081 -1.012 . . . . 62.42 110.75 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.08 126.14 46.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.437 -0.79 . . . . 54.4 109.503 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.48 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -137.19 135.12 37.01 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.011 -1.055 . . . . 73.44 110.682 -179.549 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 1.8 ptt180 -144.57 152.28 40.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.388 -0.82 . . . . 75.01 109.71 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.5 p90 -156.55 164.47 38.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.042 -1.036 . . . . 72.24 110.28 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.758 ' ND1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -104.99 147.81 27.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.85 . . . . 73.22 110.52 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.841 HG22 ' CB ' ' A' ' 38' ' ' ALA . 66.5 t -125.37 131.13 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 74.31 109.567 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.486 ' HG2' HG13 ' A' ' 80' ' ' ILE . 1.5 tt0 -108.53 132.53 53.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.114 -0.992 . . . . 70.3 110.824 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' HD23 ' A' ' 36' ' ' LEU . 1.5 m -116.49 171.71 7.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.327 -0.858 . . . . 74.32 109.813 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -73.92 -15.81 61.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.082 -1.011 . . . . 74.2 110.246 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -103.86 -29.44 10.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -0.95 . . . . 74.12 110.342 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 2.4 mtmt -170.67 -170.89 0.96 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.325 -0.859 . . . . 75.42 110.326 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.2 mp -125.86 143.38 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.88 . . . . 74.22 110.051 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -131.23 155.18 47.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 44.42 110.513 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 72' ' ' PHE . 15.2 tp -113.33 133.87 54.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 52.34 109.642 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 20.9 t -106.49 136.18 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.082 -1.011 . . . . 75.52 110.858 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -130.07 120.14 24.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.522 -0.737 . . . . 65.12 109.65 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.28 154.0 50.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.051 -1.031 . . . . 53.41 110.859 -179.66 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.686 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.32 136.04 49.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.433 -0.792 . . . . 62.25 109.721 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -129.55 133.17 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.059 -1.026 . . . . 53.24 110.501 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.606 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 10.2 ptmt -134.53 143.77 47.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 72.33 110.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 93' ' ' ASN . 0.9 OUTLIER -89.3 138.47 31.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 74.3 110.395 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.0 p -130.42 137.95 50.09 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.157 -0.964 . . . . 72.24 110.802 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 65.35 -73.23 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 70.2 111.155 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -90.78 143.43 26.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.044 . . . . 72.25 110.568 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 16.9 m-80 -88.88 51.18 2.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 73.02 110.045 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -144.87 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.855 . . . . 63.44 110.106 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.71 134.58 94.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 62.13 109.562 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 12.3 Cg_endo -69.76 148.23 64.61 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.916 1.482 . . . . 73.23 110.423 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.59 138.3 38.77 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.28 -0.887 . . . . 63.44 110.091 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -62.31 132.47 52.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.371 -0.83 . . . . 75.11 110.274 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.536 HG21 ' HD3' ' A' ' 88' ' ' LYS . 1.6 pt -118.41 -15.52 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.233 -0.917 . . . . 73.44 109.976 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 76.0 m-20 -150.78 131.15 13.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 75.44 109.797 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.687 ' HE3' HG21 ' A' ' 14' ' ' VAL . 1.8 tpt -148.54 118.84 7.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.133 -0.979 . . . . 71.31 110.672 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 15.0 p90 -148.6 157.6 43.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 72.52 110.134 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 80.9 t -121.6 155.38 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.197 -0.939 . . . . 75.43 110.214 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -123.99 121.26 34.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 65.14 110.463 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 108' ' ' GLU . 2.6 p -118.7 128.73 25.8 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 52.53 109.881 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.6 Cg_exo -62.73 130.89 31.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 123.872 1.459 . . . . 71.53 111.025 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.82 -17.08 33.13 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.426 -1.07 . . . . 73.02 110.426 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 105' ' ' VAL . 2.0 mm-40 -118.18 164.11 15.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.011 -1.288 . . . . 75.13 110.609 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 120.63 25.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.848 . . . . 70.03 110.168 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 2.5 ptm180 -55.44 139.84 42.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.237 -0.914 . . . . 74.33 110.024 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -117.13 132.96 56.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 74.01 110.145 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 21.7 p90 -80.94 137.9 36.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 72.53 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.518 ' CB ' ' HG3' ' A' ' 101' ' ' MET . 0.2 OUTLIER -90.86 -36.84 13.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 72.21 109.97 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 101' ' ' MET . 77.6 mt -123.32 -43.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.169 -0.957 . . . . 70.43 110.178 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.54 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 54.21 110.213 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.44 -1.464 . . . . 74.24 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.09 45.77 1.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -1.089 . . . . 63.54 110.222 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 0.8 OUTLIER -57.59 -38.06 74.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 75.51 109.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 8' ' ' ASN . 7.1 m -59.63 -51.76 68.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 73.21 109.918 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.462 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 23.1 mt-30 -52.66 -33.1 45.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 74.51 109.809 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.38 83.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 74.21 109.831 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.99 -33.39 57.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.36 -0.837 . . . . 74.04 109.66 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 8.8 m-80 -59.22 -47.91 83.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 75.05 110.643 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.6 ptm180 -69.26 -32.59 71.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.126 -0.984 . . . . 75.41 110.467 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.33 -41.83 69.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 74.11 110.019 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 1.046 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.0 -30.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.289 -0.882 . . . . 63.01 109.911 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.14 -49.27 78.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 63.12 110.252 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 16.8 ptt? -69.19 -31.21 69.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 71.12 109.825 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 101' ' ' MET . 37.3 t -72.53 -41.59 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.382 -0.823 . . . . 71.21 110.438 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' SER . 11.2 pt-20 -73.03 -19.96 61.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.164 -0.96 . . . . 74.15 110.393 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 15.8 ptmt -105.98 -14.09 15.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.122 -0.986 . . . . 63.41 109.838 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.6 t-20 -46.69 131.0 11.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.815 . . . . 73.34 110.523 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 34.1 mtpt -66.53 -44.88 81.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.28 -0.887 . . . . 65.02 110.044 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 23.6 m-20 -55.78 -44.07 77.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 65.33 110.14 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 111' ' ' TYR . 25.2 mm -73.72 -32.82 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.291 -0.88 . . . . 73.24 110.269 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.618 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -50.6 -32.11 17.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 61.31 109.91 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.618 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.1 m -68.91 -37.88 79.23 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.463 -0.773 . . . . 73.35 109.747 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 111' ' ' TYR . 9.8 mt -73.64 -41.7 62.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 64.33 110.119 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 36' ' ' LEU . 1.1 mt -83.71 -7.7 59.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 53.33 110.4 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.8 31.52 3.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 62.2 110.007 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.458 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 22.0 p -81.33 139.95 35.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 62.55 110.065 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 7.7 m-20 -85.34 -175.62 5.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.339 -0.851 . . . . 64.03 110.157 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 174.73 93.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 64.24 110.057 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -160.71 163.73 34.27 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.555 -1.418 . . . . 23.33 109.555 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -24.8 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -1.107 . . . . 53.24 110.416 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 t -82.4 -18.31 42.38 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.187 -0.945 . . . . 74.25 110.19 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.05 127.44 1.17 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.257 -1.537 . . . . 64.14 109.257 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -121.03 121.77 38.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 63.54 110.646 -179.685 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 26' ' ' CYS . 8.0 tp10 -75.84 143.08 42.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 60.23 109.595 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 114.86 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.151 -0.968 . . . . 65.04 109.992 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 76' ' ' SER . 11.6 mt -96.25 146.79 24.4 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.866 . . . . 71.44 110.196 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.44 137.18 54.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.566 -0.709 . . . . 75.31 110.551 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -124.73 161.55 26.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.467 -0.77 . . . . 64.11 109.885 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -160.31 162.79 33.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.965 . . . . 73.3 110.502 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.63 -128.31 1.19 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.676 -1.37 . . . . 73.25 109.676 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 2.2 mt-10 -87.91 -175.69 5.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.335 -1.097 . . . . 71.43 110.369 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 62.8 136.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.927 . . . . 50.45 110.173 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 pt -57.98 -173.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.92 . . . . 73.44 110.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 45' ' ' ASN . 49.2 m -71.28 -84.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.365 -0.834 . . . . 75.14 110.535 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 44' ' ' THR . 11.6 t30 63.39 130.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 73.51 109.898 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -143.31 166.49 24.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.142 -0.974 . . . . 71.12 110.717 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 18.4 mmtp 52.91 174.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.803 . . . . 71.0 110.943 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.575 ' C ' HG22 ' A' ' 49' ' ' THR . 71.4 m95 60.98 7.15 1.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.8 -0.562 . . . . 65.42 111.786 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' C ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 170.46 -177.17 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.789 -1.195 . . . . 75.13 110.91 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' N ' ' OG1' ' A' ' 49' ' ' THR . 2.3 ttp85 -111.66 127.03 55.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 63.23 109.779 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -64.77 158.52 24.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.141 -0.975 . . . . 70.33 110.548 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -80.65 135.23 52.92 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.422 -0.799 . . . . 75.24 110.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.85 159.79 51.47 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 123.992 1.522 . . . . 74.52 110.468 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.823 HG21 ' CE ' ' A' ' 70' ' ' MET . 17.2 mm -80.66 134.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.293 -0.879 . . . . 44.44 110.452 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.75 152.98 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.469 -0.769 . . . . 65.2 109.709 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.543 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 3.9 p -129.93 147.37 51.68 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.058 -1.026 . . . . 71.41 110.621 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 65.1 p -99.98 133.79 43.84 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.457 -0.777 . . . . 73.41 109.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -118.45 124.41 47.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 61.13 110.42 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -127.49 129.09 46.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 70.54 109.626 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.899 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -123.35 145.77 48.48 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.151 -0.968 . . . . 61.23 110.438 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -96.22 -172.27 2.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 64.44 110.059 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -7.52 30.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.279 -0.888 . . . . 74.31 109.767 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -83.78 -14.22 51.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.269 -0.894 . . . . 61.3 110.193 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.19 3.66 67.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.35 -1.1 . . . . 45.05 110.35 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.502 ' NH1' ' HD2' ' A' ' 88' ' ' LYS . 8.7 ttm180 -90.71 121.92 33.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.041 -1.27 . . . . 75.11 110.121 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' A' ' 60' ' ' LEU . 7.1 m -96.4 140.15 31.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.255 -0.903 . . . . 73.14 110.764 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -113.55 148.96 35.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.421 -0.799 . . . . 62.45 109.571 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 t-160 -124.14 140.52 52.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.148 -0.97 . . . . 74.23 110.789 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 59' ' ' LYS . 95.8 m-85 -120.73 120.18 34.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.427 -0.795 . . . . 54.43 109.9 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.823 ' CE ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -135.47 142.78 45.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 75.23 110.368 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -149.97 148.24 28.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -0.869 . . . . 72.22 110.495 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 1.046 ' CE1' HG23 ' A' ' 11' ' ' VAL . 7.9 p90 -148.97 152.52 36.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.297 -0.877 . . . . 75.41 109.99 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' HD13 ' A' ' 82' ' ' LEU . 19.5 m80 -87.67 153.16 21.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 73.44 110.633 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 38' ' ' ALA . 59.7 t -123.77 132.01 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.45 -0.781 . . . . 74.4 109.668 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.36 119.18 34.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.085 -1.009 . . . . 72.44 110.633 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 36' ' ' LEU . 82.8 p -111.31 168.41 9.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.333 -0.855 . . . . 44.12 109.982 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -72.14 -13.94 61.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.905 . . . . 72.35 110.268 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -100.01 -28.65 12.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 75.02 110.512 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -175.69 -157.56 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.098 -1.001 . . . . 72.51 110.2 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 mt -135.31 144.6 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.394 -0.816 . . . . 73.31 109.928 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.51 157.73 45.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.167 -0.958 . . . . 54.44 110.745 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 12.1 tp -116.99 127.5 54.25 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 63.32 109.493 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 24.2 t -106.94 131.53 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.157 -0.964 . . . . 74.24 110.951 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -123.76 122.79 38.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.526 -0.734 . . . . 64.24 109.258 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.8 pp -134.2 149.7 51.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.993 -1.067 . . . . 74.25 111.167 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.33 134.33 52.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.586 -0.696 . . . . 63.15 109.247 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -116.01 152.26 33.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.961 -1.087 . . . . 64.24 110.724 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' ' NH1' ' A' ' 65' ' ' ARG . 22.5 ttpt -128.67 141.02 51.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.405 -0.809 . . . . 75.03 109.874 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 2.2 pp20? -92.1 130.27 37.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 71.22 110.382 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -129.31 127.74 41.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 75.42 110.179 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' CD ' ' HB2' ' A' ' 92' ' ' GLN . 0.9 OUTLIER 57.19 114.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.895 . . . . 75.1 110.255 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.519 ' HB2' ' CD ' ' A' ' 91' ' ' LYS . 1.4 tt0 64.18 167.42 0.16 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 65.52 110.202 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -94.91 33.36 1.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 64.24 110.122 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -163.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 70.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -70.89 122.85 88.06 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 73.33 110.074 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.606 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 22.1 Cg_exo -58.78 162.08 13.81 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.869 1.457 . . . . 72.21 110.516 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.5 137.34 47.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 61.31 109.998 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.425 ' CE1' HD13 ' A' ' 85' ' ' LEU . 30.9 m-85 -60.66 135.6 57.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 74.13 110.291 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.1 pt -118.26 -14.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 72.41 109.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 26.4 m120 -156.84 129.79 7.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.422 -0.799 . . . . 63.22 109.738 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.638 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.24 124.41 10.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.165 -0.959 . . . . 62.24 110.534 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 p90 -147.41 150.89 35.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.359 -0.838 . . . . 74.31 109.997 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 14.5 p -119.4 144.46 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.997 . . . . 62.11 110.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.46 126.54 53.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.233 -0.917 . . . . 72.1 110.476 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -121.26 124.18 27.42 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.255 -0.903 . . . . 71.44 110.182 179.818 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.67 126.99 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.874 1.46 . . . . 72.31 110.323 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.99 -20.16 26.55 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.787 -1.325 . . . . 34.3 109.787 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 3.3 mt-10 -118.69 159.34 23.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.236 . . . . 65.21 110.2 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -79.26 146.35 33.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 72.21 109.932 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 23.0 ptt180 -62.67 138.14 58.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 71.12 110.452 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -109.44 133.36 53.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 73.14 110.065 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 115' ' ' LYS . 3.1 p90 -82.52 144.38 30.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.12 110.231 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD11 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -101.4 -28.62 12.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 64.54 110.102 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' LYS . 14.0 mt -125.02 -67.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.386 -0.821 . . . . 74.45 110.236 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.33 -0.856 . . . . 71.11 110.151 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.259 0.552 . . . . 74.43 110.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.488 HG22 ' ND2' ' A' ' 8' ' ' ASN . 33.3 m -56.45 -50.35 71.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 51.4 110.057 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 58.6 mt-30 -56.25 -34.65 66.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.858 . . . . 33.5 109.881 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -46.31 71.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.294 -0.879 . . . . 73.32 109.848 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -35.03 58.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 71.01 109.932 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.488 ' ND2' HG22 ' A' ' 4' ' ' THR . 70.8 m-20 -56.62 -51.25 69.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 72.22 110.488 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -67.84 -31.27 70.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 74.52 110.447 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 13' ' ' MET . . . -69.3 -43.25 74.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 64.42 110.046 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.836 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -35.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.199 -0.938 . . . . 75.51 109.823 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.7 t -58.03 -51.68 68.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 62.34 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.543 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 25.4 ptm -64.59 -31.94 73.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.381 -0.824 . . . . 55.12 110.082 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 113' ' ' LEU . 37.6 t -75.37 -39.06 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.775 . . . . 61.3 111.338 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 12' ' ' SER . 15.6 pt-20 -78.23 -22.32 48.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.992 -1.068 . . . . 65.55 110.979 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -89.9 -15.93 31.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.923 -1.11 . . . . 75.21 109.821 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 36.0 t-20 -56.25 125.62 22.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 75.12 110.504 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -32.82 74.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 73.02 110.072 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 1.3 m-20 -59.52 -50.07 75.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.211 -0.931 . . . . 74.12 109.813 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -71.4 -32.54 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.237 -0.914 . . . . 72.54 109.578 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 24.5 ttp180 -53.24 -33.56 53.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.459 -0.775 . . . . 65.03 109.86 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -39.57 78.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 64.43 110.277 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HD1' ' A' ' 111' ' ' TYR . 12.4 mt -63.93 -45.45 89.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 71.23 109.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD12 ' CB ' ' A' ' 76' ' ' SER . 2.1 mm? -76.63 1.8 15.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 74.32 110.211 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 54.89 29.56 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 73.55 109.834 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' LEU . 4.6 m . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.518 -0.739 . . . . 71.31 110.294 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.654 -0.498 . . . . 71.1 109.654 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 26' ' ' CYS . 15.4 mt -109.92 146.05 35.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.081 -1.012 . . . . 51.34 111.338 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 147.22 52.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.061 -0.718 . . . . 75.45 109.061 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.836 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -138.05 162.83 33.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.982 -1.074 . . . . 64.33 111.095 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -148.79 172.26 14.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.654 -0.654 . . . . 74.43 109.535 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.557 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 110.18 -1.168 . . . . 73.13 110.18 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.557 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 34.3 mm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.388 0.613 . . . . 71.22 109.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.0 148.07 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.835 . . . . 74.12 110.381 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -127.74 151.43 49.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 71.22 110.081 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -114.61 145.14 42.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.332 -0.855 . . . . 65.1 110.649 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -136.7 127.33 27.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.925 . . . . 63.15 110.037 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 54.2 110.086 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.095 0.474 . . . . 74.15 109.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -81.09 132.53 35.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 65.31 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -113.86 148.75 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 75.43 109.791 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 56' ' ' SER . 3.2 t-160 -117.49 142.92 46.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 65.2 110.393 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 41.2 m-85 -127.15 122.22 33.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -0.79 . . . . 52.3 109.808 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.24 130.35 46.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 73.11 110.468 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -129.96 140.46 50.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 74.45 110.014 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.3 p90 -150.92 169.5 21.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.293 -0.88 . . . . 74.54 110.002 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -111.43 155.62 22.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 74.31 110.522 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.578 HG22 ' CB ' ' A' ' 38' ' ' ALA . 41.5 t -124.11 139.8 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 73.11 109.671 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' HG12 ' A' ' 80' ' ' ILE . 3.3 tt0 -115.91 120.13 38.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.142 -0.974 . . . . 64.55 110.54 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.628 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.0 m -108.12 -178.27 3.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.364 -0.835 . . . . 63.13 109.854 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -13.5 59.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.93 . . . . 61.12 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -29.34 9.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.866 . . . . 74.11 110.41 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.88 -171.09 0.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.163 -0.961 . . . . 71.41 110.818 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.2 mp -116.3 141.66 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 74.45 109.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.39 157.44 27.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 54.14 110.457 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 103' ' ' VAL . 18.5 tp -113.16 128.85 56.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 64.52 109.661 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 103' ' ' VAL . 90.9 t -113.01 126.65 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 53.34 111.019 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 1.9 t-80 -124.04 130.93 53.38 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.082 -0.71 . . . . 74.41 109.082 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.8 pp -141.59 153.49 44.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.893 -1.129 . . . . 71.15 111.486 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 tt0 -123.05 135.48 54.44 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.257 -0.646 . . . . 71.42 109.257 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.33 154.05 48.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.998 -1.064 . . . . 74.35 110.915 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 97' ' ' ASP . 0.3 OUTLIER -134.55 144.51 48.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.53 -0.731 . . . . 73.43 109.77 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.149 -0.969 . . . . 71.05 110.211 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.484 0.944 0 N-CA-C 110.467 -0.628 . . . . 73.3 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.478 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . 80.7 m-20 -115.25 118.57 33.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 73.32 110.098 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE1' ' NH1' ' A' ' 9' ' ' ARG . 83.0 m-85 -80.01 136.06 36.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.906 . . . . 71.41 110.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -24.67 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.27 -0.893 . . . . 65.1 109.842 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.77 129.16 27.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 64.13 110.19 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.695 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -149.06 115.46 5.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 74.41 110.044 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 24.6 p90 -146.82 163.61 35.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -0.974 . . . . 73.34 110.164 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 82' ' ' LEU . 30.7 t -128.97 159.5 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.188 -0.945 . . . . 64.41 110.59 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -125.46 117.02 22.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 72.13 109.858 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.1 m -112.73 132.87 22.06 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.121 -0.987 . . . . 73.43 110.605 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 11.8 Cg_exo -65.45 131.63 28.65 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.065 1.561 . . . . 74.34 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.93 -19.05 32.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.797 -1.321 . . . . 61.43 109.797 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.01 168.95 9.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -1.184 . . . . 71.33 110.287 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -84.81 143.17 29.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 75.34 110.205 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.25 139.08 43.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 74.1 110.19 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.809 ' HD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.87 126.03 46.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 73.41 110.551 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.2 m-85 -86.55 143.52 27.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 72.25 110.025 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -102.47 -31.11 10.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.209 -0.932 . . . . 75.41 110.191 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 101' ' ' MET . 21.1 mt -121.57 -80.4 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.285 -0.884 . . . . 72.54 110.119 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.255 -0.903 . . . . 72.31 110.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.29 0.566 . . . . 74.44 109.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -54.3 -48.28 71.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 70.33 110.221 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -33.14 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 72.44 110.134 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HB3' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -58.05 -40.95 82.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 61.34 110.026 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -34.3 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 73.32 109.897 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -58.75 -50.53 73.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.235 -0.915 . . . . 74.23 110.579 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 5.9 ptm85 -64.74 -39.02 92.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.146 -0.971 . . . . 74.02 110.354 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.76 -40.94 88.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.13 -0.981 . . . . 43.32 109.875 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.886 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -73.35 -36.53 49.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.085 -1.01 . . . . 43.21 110.092 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -53.04 -52.01 59.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 73.33 110.21 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.525 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptt? -68.49 -30.71 69.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.251 -0.905 . . . . 73.14 109.919 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.709 HG11 HG21 ' A' ' 83' ' ' VAL . 36.5 t -69.9 -49.16 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 75.33 110.404 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 12.5 pt-20 -66.64 -25.04 66.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 73.52 110.432 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -98.37 -16.94 19.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.086 -1.008 . . . . 72.22 109.958 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.47 ' ND2' ' HG ' ' A' ' 113' ' ' LEU . 5.1 t30 -45.17 122.72 3.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 73.03 110.002 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -63.75 -26.23 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 74.15 110.566 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 10.7 m-20 -69.11 -45.49 70.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.24 -0.913 . . . . 73.45 110.861 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.494 HD12 HG11 ' A' ' 103' ' ' VAL . 19.4 mm -73.3 -35.96 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.165 -0.959 . . . . 73.44 110.675 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -33.15 58.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.187 -0.945 . . . . 65.15 110.468 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -38.71 74.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.224 -0.922 . . . . 45.23 110.264 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 111' ' ' TYR . 41.2 mt -72.41 -48.14 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.239 -0.913 . . . . 72.04 109.734 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -76.43 -7.2 54.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.538 -0.726 . . . . 61.34 110.131 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 59.46 39.32 22.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 75.34 110.221 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 O-C-N 121.228 -0.92 . . . . 75.21 110.102 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.209 -0.663 . . . . 75.53 109.209 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 26' ' ' CYS . 8.8 mt -99.74 146.6 26.37 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.142 -0.974 . . . . 63.23 110.893 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.57 143.98 49.87 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.667 -0.646 . . . . 75.01 109.978 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.83 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -139.04 164.69 29.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 61.24 110.312 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' O ' ' A' ' 40' ' ' GLY . 9.0 p90 -153.41 172.35 17.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.309 -0.87 . . . . 74.5 109.982 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 110.247 -1.141 . . . . 52.33 110.247 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 ' HA3' ' A' ' 40' ' ' GLY . 25.7 mm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.25 0.548 . . . . 60.21 109.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.29 150.67 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 70.0 110.419 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -129.28 150.47 50.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 61.15 110.151 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 74.8 p -111.36 143.21 42.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.248 -0.907 . . . . 72.43 110.381 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.1 ptpt -129.23 131.94 47.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 62.53 109.934 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.139 -0.975 . . . . 75.32 110.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.166 0.508 . . . . 74.32 110.18 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 m -86.21 133.71 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 62.33 110.231 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 28.7 m170 -108.74 140.91 41.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.846 . . . . 72.42 110.222 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.6 t60 -117.46 138.95 51.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 73.23 110.137 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 92.1 m-85 -122.37 130.47 53.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 73.52 110.269 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.529 ' HE3' HG21 ' A' ' 54' ' ' ILE . 3.2 ttt -136.85 139.5 41.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 62.34 110.12 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -144.67 150.91 38.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 75.34 110.241 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.886 ' CE1' HG23 ' A' ' 11' ' ' VAL . 13.8 p90 -152.33 154.26 35.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.321 -0.862 . . . . 65.53 109.946 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 11.1 m170 -91.94 157.07 17.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 73.22 110.371 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 t -132.54 135.67 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 65.05 109.804 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 80' ' ' ILE . 5.0 tt0 -120.47 126.47 50.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.162 -0.961 . . . . 75.53 110.623 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 10.9 p -116.67 176.29 5.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 33.43 109.952 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -78.93 -16.42 57.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 71.43 110.215 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' LYS . 1.1 mttm -99.07 -24.91 14.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 71.34 110.163 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 177.05 -179.81 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.308 -0.87 . . . . 71.24 110.089 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.593 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.1 mp -115.83 144.7 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 71.13 110.245 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.94 157.85 41.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 24.35 110.443 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -113.18 136.64 52.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 71.45 109.164 179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.709 HG21 HG11 ' A' ' 14' ' ' VAL . 55.5 t -124.44 131.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 63.11 111.218 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -128.8 131.14 47.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.55 -0.719 . . . . 63.0 109.076 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 72' ' ' PHE . 2.2 pp -126.0 151.67 46.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.048 . . . . 54.35 111.161 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -131.34 131.75 43.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.577 -0.702 . . . . 61.12 109.463 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 51.11 110.748 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -112.56 144.59 41.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.45 -0.782 . . . . 73.05 109.91 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 64.43 110.412 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.584 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 48.4 Cg_endo . . . . . 0 N--CA 1.481 0.737 0 N-CA-C 110.385 -0.66 . . . . 74.11 110.385 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -101.55 123.61 45.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.956 . . . . 72.3 110.093 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 22.8 m-85 -65.72 124.62 22.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.123 -0.986 . . . . 74.11 110.144 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.06 -18.84 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.235 -0.916 . . . . 60.45 110.363 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.09 128.33 16.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 74.22 110.213 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.628 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -149.95 130.63 14.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 60.15 110.212 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -147.4 157.09 43.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 73.55 109.946 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 p -121.46 153.04 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 72.51 110.538 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.06 116.08 22.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.297 -0.877 . . . . 70.4 110.242 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.8 p -121.0 130.84 24.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.167 -0.958 . . . . 72.25 110.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.8 Cg_exo -63.01 132.09 35.37 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.931 1.49 . . . . 54.25 110.642 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.69 -20.3 24.42 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.991 -1.243 . . . . 55.33 109.991 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 105' ' ' VAL . 13.9 mm-40 -118.8 158.37 25.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.075 -1.25 . . . . 71.02 110.232 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.95 147.3 31.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.233 -0.917 . . . . 73.32 109.927 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 142.11 55.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 74.4 110.32 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -122.73 128.64 50.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.863 . . . . 71.43 109.965 179.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 33.4 m-85 -74.82 140.3 43.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.257 -0.902 . . . . 74.35 110.284 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -98.09 -29.63 13.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 73.23 110.067 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 101' ' ' MET . 16.5 mt -119.65 -49.36 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 75.53 110.006 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 4.5 tttm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.323 -0.861 . . . . 40.35 110.288 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.214 0.53 . . . . 65.3 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.0 m -55.78 -52.28 64.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 71.33 109.525 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.75 -30.41 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.295 -0.878 . . . . 61.44 109.075 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 2.6 tt -55.93 -44.67 78.56 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 73.21 109.658 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -76.75 -33.25 58.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.402 -0.812 . . . . 74.15 109.731 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 4' ' ' THR . 3.1 m-80 -51.59 -51.78 52.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 73.43 110.189 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -63.03 -31.97 73.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 74.44 109.88 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.14 -37.51 66.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 72.34 110.093 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -30.34 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.3 -0.875 . . . . 63.11 109.88 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -59.68 -49.6 77.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 64.42 110.303 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.02 -29.89 67.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 53.41 110.203 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 83' ' ' VAL . 34.8 t -75.02 -41.95 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.164 -0.96 . . . . 55.25 110.471 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -74.31 -21.11 59.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.898 . . . . 74.22 110.589 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -100.66 -15.33 17.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 72.33 110.105 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.64 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.1 t30 -44.95 130.61 7.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 73.02 110.537 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -66.65 -42.51 86.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.398 -0.814 . . . . 74.11 109.935 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.78 -49.39 77.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.559 -0.713 . . . . 71.52 110.354 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 103' ' ' VAL . 46.0 mm -67.54 -35.87 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 71.14 109.991 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.05 -39.93 60.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.193 -0.942 . . . . 74.23 109.394 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -65.86 -44.5 85.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.425 -0.797 . . . . 74.13 109.46 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.0 mt -63.01 -41.53 99.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.518 -0.738 . . . . 71.44 109.703 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -89.2 -10.01 48.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.341 -0.849 . . . . 72.22 110.17 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.2 mt-30 60.85 29.62 19.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 65.22 110.198 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 64.13 110.087 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.345 0.593 . . . . 63.44 109.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 15' ' ' GLU . 35.8 mt -110.23 145.45 37.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.398 -0.813 . . . . 72.23 109.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.38 130.47 56.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.164 -0.96 . . . . 71.51 110.521 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.81 163.17 21.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 71.14 110.012 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.7 p90 -152.35 157.72 41.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 72.05 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.578 -1.409 . . . . 73.35 109.578 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.249 0.547 . . . . 73.43 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' O ' ' HE1' ' A' ' 70' ' ' MET . 14.4 p -101.22 153.07 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 75.14 110.109 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 151.57 39.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.912 . . . . 72.0 110.374 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -99.74 149.38 23.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 62.44 110.031 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 3.8 ptmt -125.32 134.72 52.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.194 -0.941 . . . . 72.5 110.63 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 72.32 110.221 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.223 0.535 . . . . 53.35 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 9.1 m -78.52 137.25 37.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.223 -0.923 . . . . 64.14 110.254 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -119.32 140.44 50.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.188 -0.945 . . . . 75.2 110.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 6.6 t-80 -119.07 142.4 47.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 54.54 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 13.7 m-85 -127.44 123.96 37.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.241 -0.912 . . . . 74.43 110.086 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.455 ' HE1' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.8 141.0 48.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 63.3 110.047 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 14.7 ptt180 -149.94 144.73 26.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.195 -0.941 . . . . 70.44 110.39 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.583 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 7.0 p90 -154.86 151.73 28.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 64.22 109.915 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CG ' HD23 ' A' ' 82' ' ' LEU . 74.2 m-70 -89.8 157.14 18.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.976 . . . . 73.02 110.575 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 38' ' ' ALA . 4.5 t -125.96 133.39 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 64.44 109.921 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.89 121.5 44.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 52.21 110.34 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -115.35 162.55 16.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 72.53 110.121 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -69.27 -13.87 62.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 75.33 110.221 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 3.4 mmtm -98.86 -28.82 13.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 70.25 110.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -178.58 -161.12 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.985 . . . . 72.52 110.394 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.98 141.48 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.309 -0.87 . . . . 55.41 110.18 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 105' ' ' VAL . . . -135.89 157.38 46.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 32.35 110.389 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.1 tm? -116.4 132.29 56.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 54.25 109.584 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG21 HG11 ' A' ' 14' ' ' VAL . 77.7 t -112.84 125.74 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.144 -0.972 . . . . 75.25 111.118 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 6.3 t-160 -119.94 127.79 53.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.51 -0.744 . . . . 74.1 109.422 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.5 pp -129.16 149.59 50.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.036 -1.04 . . . . 72.14 110.867 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' OE2' HD11 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -122.94 130.0 52.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.515 -0.741 . . . . 71.14 109.377 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -114.19 138.0 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.038 -1.039 . . . . 65.31 110.565 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 99' ' ' ILE . 2.7 ttpt -121.82 139.66 53.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.478 -0.764 . . . . 65.32 109.886 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.257 -0.902 . . . . 70.13 109.95 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo . . . . . 0 N--CA 1.482 0.826 0 N-CA-C 110.264 -0.706 . . . . 73.12 110.264 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.1 m-20 -110.66 142.65 42.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 72.44 110.243 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 85' ' ' LEU . 42.4 m-85 -58.9 128.69 38.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.297 -0.877 . . . . 71.04 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 88' ' ' LYS . 6.7 pt -117.9 -23.13 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.441 -0.787 . . . . 72.11 109.818 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 78.5 m-20 -137.57 130.05 29.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.838 . . . . 63.41 109.887 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.953 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.5 122.8 9.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.011 . . . . 71.41 110.61 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 33.5 p90 -147.65 158.82 44.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 64.35 110.031 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 20' ' ' ILE . 12.0 p -122.44 151.84 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.13 -0.981 . . . . 72.45 110.409 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.89 121.62 32.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.158 -0.964 . . . . 72.01 110.284 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.495 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.2 m -114.39 133.47 22.45 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 44.35 110.086 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 19.6 Cg_exo -60.88 127.16 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.069 1.563 . . . . 63.51 110.932 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.23 -18.01 30.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.422 -1.071 . . . . 54.24 110.422 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 47.8 mt-10 -118.51 162.24 18.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.278 . . . . 73.42 110.774 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 145.51 38.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.437 -0.79 . . . . 75.2 110.096 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.4 ptt180 -76.78 140.97 40.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 73.41 110.331 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.544 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -116.44 127.89 55.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 71.23 110.035 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 115' ' ' LYS . 25.2 p90 -75.81 138.27 41.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.143 -0.973 . . . . 75.33 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.64 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.58 -35.51 12.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 50.21 109.99 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.953 HD12 ' HB2' ' A' ' 101' ' ' MET . 92.3 mt -117.5 -69.38 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 74.23 110.084 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 73.33 110.219 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.7 p30 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.307 0.575 . . . . 74.14 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 87.4 m -59.01 -31.97 69.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 74.2 109.843 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -70.55 -33.79 71.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 72.21 110.022 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.65 -40.05 95.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 72.45 109.957 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.03 -36.85 58.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 73.42 109.613 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -56.27 -50.68 70.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 73.34 110.122 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.2 ptm85 -68.34 -35.89 78.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.343 -0.848 . . . . 74.43 110.135 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.79 -43.82 78.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 62.1 110.093 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -67.79 -32.38 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 70.14 109.815 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 20.9 t -63.51 -48.73 76.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 75.33 110.108 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 7.3 ptt? -68.44 -31.54 70.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.935 . . . . 65.53 110.021 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 101' ' ' MET . 52.3 t -74.78 -40.41 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 64.32 110.838 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 12' ' ' SER . 23.1 pt-20 -76.69 -19.29 57.88 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.143 -0.973 . . . . 74.4 110.76 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 8.1 pttp -103.67 -14.52 16.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 74.45 110.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' MET . 4.2 t30 -48.03 131.78 15.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 64.44 110.295 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.23 -44.62 83.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.244 -0.91 . . . . 75.43 109.996 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 54.6 m-20 -56.92 -46.34 82.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.454 -0.779 . . . . 71.23 110.111 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 34.9 mm -70.83 -34.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.218 -0.926 . . . . 70.32 109.788 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 6.3 ttp180 -53.19 -34.67 57.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.408 -0.808 . . . . 63.31 110.17 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.95 . . . . 73.4 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 111' ' ' TYR . 8.7 mt -73.59 -43.84 58.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 75.22 110.026 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -86.14 -4.35 59.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 72.15 110.195 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 54.69 39.5 31.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.182 -0.948 . . . . 71.54 109.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 5.8 t . . . . . 0 N--CA 1.487 1.397 0 O-C-N 121.422 -0.798 . . . . 64.01 110.075 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.383 0.611 . . . . 64.35 110.662 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 15' ' ' GLU . 45.8 mt -109.81 145.71 36.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 74.3 110.012 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -120.28 143.85 48.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 73.25 110.259 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.924 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -141.19 149.71 41.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.43 -0.794 . . . . 63.13 110.285 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -147.99 154.89 40.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.235 -0.916 . . . . 73.14 110.126 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 110.014 -1.234 . . . . 74.43 110.014 -179.541 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 54' ' ' ILE . 16.8 mm . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.326 0.584 . . . . 70.3 110.215 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -96.77 149.7 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 73.11 110.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m -129.66 139.75 51.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 75.31 110.62 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 20.8 p -102.91 149.72 24.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.392 -0.817 . . . . 63.23 110.007 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -129.21 132.54 47.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 74.11 110.735 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.297 -0.877 . . . . 73.31 109.769 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.307 0.575 . . . . 72.33 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.3 m -77.88 138.74 39.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 65.54 110.387 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 30.0 m170 -113.83 138.7 49.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 74.22 109.81 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' THR . 2.9 m-70 -117.95 141.22 48.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.02 -1.05 . . . . 74.1 110.931 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE1' ' CD ' ' A' ' 86' ' ' GLU . 94.8 m-85 -121.34 127.28 51.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.375 -0.828 . . . . 74.44 109.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 27.8 ttm -149.09 130.5 14.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 73.44 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.485 ' HB3' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.02 148.65 35.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.356 -0.84 . . . . 72.21 109.948 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 5.6 p90 -147.68 162.3 39.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 74.22 110.128 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.536 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 m170 -95.62 159.2 15.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 52.45 110.27 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 38' ' ' ALA . 9.1 t -127.3 135.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.403 -0.811 . . . . 62.52 109.959 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.05 120.02 40.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 63.15 110.273 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 36' ' ' LEU . 23.4 m -112.83 172.39 6.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 64.43 110.131 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -19.47 53.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 61.34 110.098 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 2.1 mttt -94.67 -26.75 16.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 74.35 109.932 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 179.74 -167.74 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.335 -0.853 . . . . 71.12 110.01 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.97 138.84 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 74.12 110.424 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.49 155.94 44.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 70.42 109.971 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 83' ' ' VAL . 5.9 tt -114.86 134.29 55.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.883 . . . . 71.05 109.901 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.81 ' N ' HD23 ' A' ' 82' ' ' LEU . 65.7 t -117.72 123.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 64.13 110.685 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 3.4 t-160 -120.88 128.9 53.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 72.52 109.286 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 98' ' ' PHE . 3.4 pp -134.95 148.24 49.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.07 -1.019 . . . . 65.21 111.246 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.488 ' CD ' ' CE1' ' A' ' 69' ' ' TYR . 2.1 tt0 -116.07 133.94 55.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.589 -0.694 . . . . 71.23 109.163 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -115.68 150.31 36.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 53.33 110.939 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -132.8 139.42 47.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.499 -0.751 . . . . 64.41 109.671 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 71.22 110.471 -179.607 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.479 0.657 0 N-CA-C 110.048 -0.789 . . . . 63.43 110.048 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -122.55 148.57 45.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.126 -0.984 . . . . 63.44 110.097 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.745 ' CD2' HD13 ' A' ' 85' ' ' LEU . 23.4 m-85 -68.76 131.91 45.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 73.11 110.401 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' HB3' ' A' ' 86' ' ' GLU . 2.9 pt -114.65 -16.58 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.909 . . . . 75.11 109.669 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 4.0 m120 -149.76 129.45 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.379 -0.825 . . . . 73.33 109.498 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.82 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.67 118.12 6.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.998 -1.064 . . . . 72.52 110.898 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 9.6 p90 -147.44 155.2 41.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.397 -0.814 . . . . 62.24 109.656 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' LEU . 8.7 p -124.34 149.5 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 61.3 110.718 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 114.97 29.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.373 -0.829 . . . . 65.5 109.597 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.17 127.1 27.41 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.87 . . . . 65.03 110.38 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -63.34 126.57 18.02 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.864 1.455 . . . . 75.53 110.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.35 -19.62 26.55 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.979 -1.248 . . . . 73.11 109.979 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -116.54 169.95 8.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.022 -1.281 . . . . 74.33 110.653 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -85.68 139.8 31.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 73.11 110.146 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.06 131.03 49.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.311 -0.868 . . . . 61.34 110.013 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ASP . 11.5 t80 -108.56 133.16 53.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.17 -0.956 . . . . 53.22 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 53.1 m-85 -88.86 134.12 34.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.327 -0.858 . . . . 71.25 110.399 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -27.71 19.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.157 -0.964 . . . . 63.41 109.734 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 114' ' ' ILE . 56.5 mt -133.64 -52.04 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.331 -0.856 . . . . 72.25 110.145 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 73.33 110.259 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.218 0.533 . . . . 71.2 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -54.64 -37.14 65.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 64.22 109.9 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -59.78 -32.31 70.49 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.349 -0.844 . . . . 74.31 109.851 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.7 tp -60.21 -42.21 94.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 71.24 109.746 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.2 -33.38 59.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.86 . . . . 74.53 109.448 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.31 -44.91 72.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.433 -0.792 . . . . 62.21 110.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 8.8 ptm180 -70.76 -31.93 68.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 73.44 110.22 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.66 -42.2 78.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.089 -1.007 . . . . 72.5 109.634 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.997 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.26 -31.65 44.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.316 -0.865 . . . . 64.31 109.874 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -62.37 -50.73 70.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 63.45 110.487 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.49 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 12.3 ptt? -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.132 -0.98 . . . . 51.54 110.016 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 113' ' ' LEU . 55.5 t -74.66 -38.8 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.364 -0.835 . . . . 74.23 110.464 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 12' ' ' SER . 10.0 pt-20 -74.61 -25.61 59.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.047 -1.033 . . . . 62.54 110.452 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.5 OUTLIER -98.07 -18.03 18.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 62.2 110.039 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -44.4 125.32 4.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.853 . . . . 62.04 110.182 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -64.4 -38.5 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 75.43 110.01 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.527 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 6.0 m-20 -62.08 -40.51 96.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.268 -0.895 . . . . 73.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 24' ' ' LEU . 49.2 mm -75.81 -33.96 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 71.34 109.83 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 20.3 ttp85 -51.88 -40.62 60.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 74.41 109.949 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.92 77.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 73.13 110.201 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD22 ' OE2' ' A' ' 108' ' ' GLU . 12.6 mt -73.38 -40.7 64.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 74.51 110.226 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 76' ' ' SER . 1.2 mt -87.66 -9.46 54.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 55.5 110.413 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ARG . 36.4 mt-30 57.33 38.32 28.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 75.32 109.896 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' SG ' ' HG3' ' A' ' 21' ' ' ARG . 19.5 p . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.855 . . . . 75.53 110.222 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.273 0.559 . . . . 72.4 110.644 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.88 146.37 35.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 61.04 109.955 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 75' ' ' GLU . 1.0 OUTLIER -121.32 139.33 53.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.189 -0.944 . . . . 70.34 110.558 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.997 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.13 160.51 35.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.468 -0.77 . . . . 72.5 110.206 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -153.17 148.79 27.32 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.249 -0.907 . . . . 75.21 110.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.905 -1.278 . . . . 62.13 109.905 -179.68 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 54' ' ' ILE . 17.8 mm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.322 0.582 . . . . 35.33 110.187 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -103.8 153.22 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 71.24 110.357 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 m -119.92 150.29 40.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 50.02 110.286 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 41.2 p -99.43 141.69 31.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.257 -0.902 . . . . 62.13 109.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -110.22 125.39 53.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.206 -0.934 . . . . 64.41 110.357 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 12.7 mttt . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 61.21 109.984 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.069 0.461 . . . . 72.13 109.849 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.506 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 25.6 m -82.92 136.78 34.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.161 -0.962 . . . . 72.15 110.393 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -121.39 149.38 43.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 54.55 109.786 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 57' ' ' THR . 4.6 m-70 -115.95 138.41 51.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 73.25 110.105 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 33.5 m-85 -111.26 121.71 45.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 73.44 110.613 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.3 ttm -133.92 130.38 37.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 74.11 109.809 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.9 OUTLIER -140.04 154.22 47.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.15 -0.968 . . . . 64.01 110.634 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HE1' HG23 ' A' ' 11' ' ' VAL . 12.0 p90 -159.21 169.75 23.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.391 -0.818 . . . . 75.4 109.737 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -108.56 152.0 25.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 74.23 110.26 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.4 t -123.87 130.27 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.368 -0.832 . . . . 73.55 109.74 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.493 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 1.7 tt0 -110.25 117.72 34.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 72.11 110.375 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.541 ' CB ' HD22 ' A' ' 24' ' ' LEU . 6.5 p -101.49 175.79 5.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.523 -0.735 . . . . 71.32 109.907 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -13.33 59.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 72.14 110.001 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 -25.24 12.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 73.04 110.513 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -173.01 -155.11 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 70.22 110.776 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.4 mt -135.03 143.1 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 62.34 109.856 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.34 157.84 45.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 43.44 110.626 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -116.38 138.38 51.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 72.13 109.934 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 103' ' ' VAL . 92.1 t -117.23 130.22 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 61.53 110.793 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 3.3 t60 -126.93 118.64 24.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 75.45 109.69 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.635 HD13 ' CE2' ' A' ' 98' ' ' PHE . 2.0 pp -128.39 151.82 48.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 72.03 110.858 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.42 137.6 53.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.826 . . . . 75.11 109.528 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.49 154.37 37.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.051 -1.031 . . . . 72.44 111.202 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -125.69 146.41 49.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.636 -0.665 . . . . 54.34 109.674 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.506 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.063 -1.023 . . . . 55.01 110.84 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.215 -0.643 0 N-CA-C 109.994 -0.81 . . . . 71.41 109.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -129.17 139.32 51.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 73.22 110.529 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.635 ' CE2' HD13 ' A' ' 85' ' ' LEU . 18.0 m-85 -69.4 139.81 54.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 73.24 109.99 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.457 HG21 ' CD ' ' A' ' 88' ' ' LYS . 1.7 pt -120.89 -17.12 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.266 -0.896 . . . . 64.01 110.033 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 6.6 m120 -142.19 129.28 20.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 64.41 109.666 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.9 114.82 5.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.085 -1.009 . . . . 73.34 110.671 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 13.6 p90 -147.28 158.23 43.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.89 . . . . 75.1 109.919 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 83' ' ' VAL . 88.8 t -129.82 143.16 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.108 -0.995 . . . . 73.42 110.582 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.04 115.25 27.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.348 -0.845 . . . . 65.52 109.922 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.89 115.75 54.8 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 73.33 110.156 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -58.46 127.0 23.06 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.872 1.459 . . . . 74.42 110.305 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.28 -15.57 49.04 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.423 . . . . 43.5 109.544 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' OE2' HD22 ' A' ' 23' ' ' LEU . 5.1 mm-40 -117.95 163.32 16.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.183 -1.187 . . . . 74.2 110.29 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -80.27 150.28 30.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.222 -0.924 . . . . 64.42 110.221 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 123.34 18.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.289 -0.882 . . . . 61.52 110.423 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -106.45 128.74 54.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 70.33 109.799 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 21.9 p90 -91.82 132.84 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 75.21 110.547 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.56 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -86.35 -31.5 21.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 54.05 109.941 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 101' ' ' MET . 96.4 mt -131.94 -46.46 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 63.21 109.944 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.85 . . . . 60.24 110.184 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.224 0.535 . . . . 74.14 110.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.9 m -65.09 -44.95 87.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 74.2 110.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.87 -36.97 83.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.854 . . . . 72.21 109.998 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -44.21 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.36 -0.837 . . . . 72.45 110.087 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.25 -33.43 63.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 73.42 109.65 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.09 -48.77 70.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.272 -0.893 . . . . 73.34 110.529 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 9.5 ptm180 -72.35 -31.85 65.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.135 -0.978 . . . . 74.43 110.549 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.69 -45.58 71.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.074 -1.016 . . . . 62.1 109.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.927 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -64.71 -34.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.329 -0.857 . . . . 70.14 110.227 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -61.39 -49.11 78.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 75.33 110.289 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.7 ptp -67.82 -31.58 71.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.241 -0.912 . . . . 65.53 110.415 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.543 HG11 HG21 ' A' ' 83' ' ' VAL . 24.9 t -74.68 -39.79 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 64.32 110.958 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -78.73 -21.4 48.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 74.4 110.969 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 2.0 ptmm? -95.76 -17.19 21.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.95 -1.094 . . . . 74.45 110.049 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -50.76 117.1 2.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 64.44 110.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 15.9 pttm -55.65 -33.59 64.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 75.43 109.658 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' HG3' ' A' ' 18' ' ' LYS . 20.7 m-20 -62.87 -49.63 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.301 -0.875 . . . . 71.23 109.607 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -73.41 -32.47 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 70.32 109.593 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 ttm180 -53.82 -32.78 53.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 63.31 110.275 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -33.64 76.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.363 -0.836 . . . . 73.4 110.216 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 mt -70.8 -45.49 64.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 75.22 109.55 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.77 -10.27 59.29 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.535 -0.728 . . . . 72.15 110.722 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 48.62 31.86 3.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 71.54 109.742 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 30.9 p . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 64.01 110.782 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.344 0.592 . . . . 64.35 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 15' ' ' GLU . 12.2 mt -99.07 147.18 25.31 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.335 -0.853 . . . . 74.3 109.998 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 129.81 56.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 73.25 110.789 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.59 147.17 52.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.412 -0.805 . . . . 63.13 109.72 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -157.56 167.22 30.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 73.14 110.44 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.488 -1.445 . . . . 74.43 109.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.337 0.589 . . . . 70.3 110.352 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -97.69 146.64 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.301 -0.875 . . . . 73.11 110.022 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -124.9 149.94 47.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.931 . . . . 75.31 110.398 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.2 p -100.23 140.89 33.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 63.23 110.31 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -127.73 133.54 49.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 74.11 110.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.883 . . . . 73.31 110.283 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.245 0.545 . . . . 72.33 110.052 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.7 m -92.58 132.88 36.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.34 -0.85 . . . . 65.54 110.349 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -112.26 140.3 47.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 74.22 109.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.63 137.55 53.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 74.1 110.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.0 m-85 -126.01 121.38 32.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.877 . . . . 74.44 109.974 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 ttp -140.02 138.68 35.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -0.936 . . . . 73.44 110.554 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.36 148.19 34.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.243 -0.911 . . . . 72.21 110.099 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 1.5 p90 -147.93 154.87 40.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.196 -0.94 . . . . 74.22 110.212 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.639 ' CD2' HD23 ' A' ' 82' ' ' LEU . 38.5 m-70 -99.28 160.16 14.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 52.45 110.466 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.7 t -123.8 146.11 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 62.52 109.616 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -119.28 118.77 32.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 63.15 110.95 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.462 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -117.14 173.5 6.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.773 . . . . 64.43 109.738 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -78.62 -14.28 59.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 61.34 109.956 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -97.3 -25.35 15.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 74.35 110.303 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER 174.91 -176.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.157 -0.964 . . . . 71.12 110.197 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 74' ' ' VAL . 19.0 mt -114.9 139.56 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.361 -0.837 . . . . 74.12 109.586 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -124.48 157.93 34.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 70.42 110.686 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 82' ' ' LEU . 1.5 tm? -120.67 127.36 51.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.346 -0.846 . . . . 71.05 110.03 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 52.8 t -110.9 133.13 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.31 -0.869 . . . . 64.13 110.272 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 2.0 t60 -129.83 136.8 49.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 72.52 109.885 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -142.54 148.21 37.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.165 -0.959 . . . . 65.21 110.565 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -122.68 137.53 54.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -0.789 . . . . 71.23 109.622 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB2' ' HD1' ' A' ' 98' ' ' PHE . . . -132.76 148.63 52.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.151 -0.968 . . . . 53.33 110.823 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.51 ' HG3' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -134.72 146.2 49.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.494 -0.754 . . . . 64.41 109.004 179.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.1 pt-20 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.044 -1.035 . . . . 71.22 110.996 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 N--CA 1.479 0.636 0 N-CA-C 110.193 -0.733 . . . . 63.43 110.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.51 ' OD1' ' HG3' ' A' ' 88' ' ' LYS . 8.5 p-10 -116.38 141.13 48.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 63.44 110.571 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' A' ' 87' ' ' ALA . 23.3 m-85 -77.29 135.93 38.45 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.313 -0.867 . . . . 73.11 109.755 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' ND2' ' A' ' 100' ' ' ASN . 2.7 pt -114.63 -13.11 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.181 -0.949 . . . . 75.11 110.118 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 17.0 m-80 -149.92 129.35 12.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 73.33 109.747 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -146.19 119.33 8.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.213 -0.93 . . . . 72.52 110.152 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.579 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 29.6 p90 -147.28 161.05 41.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.287 -0.883 . . . . 62.24 110.086 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.1 p -124.04 151.62 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.967 . . . . 61.3 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.27 114.94 27.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 65.5 110.232 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.85 129.32 25.08 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 65.03 109.894 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.503 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 17.2 Cg_endo -63.52 126.85 18.45 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.947 1.499 . . . . 75.53 110.575 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.77 -19.88 22.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.958 -1.257 . . . . 73.11 109.958 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -118.43 169.96 9.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.108 -1.23 . . . . 74.33 110.346 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -85.57 142.89 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 73.11 110.006 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -65.96 143.1 57.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 61.34 110.173 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -113.28 132.96 55.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 53.22 110.061 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 80.5 m-85 -84.1 132.87 34.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 71.25 110.381 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -87.51 -40.25 14.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 63.41 109.962 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 101' ' ' MET . 54.3 mt -109.75 -77.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 72.25 109.983 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 112' ' ' TYR . 3.4 ttpt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.891 . . . . 73.33 110.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.298 0.571 . . . . 70.31 110.139 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -59.9 -51.45 69.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 75.44 110.318 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.83 -31.7 72.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -0.871 . . . . 65.33 110.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 54.12 109.968 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -33.29 58.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.399 -0.813 . . . . 72.34 109.897 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.8 m-20 -56.48 -51.31 68.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 72.45 110.769 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 ptm180 -61.61 -31.59 71.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.056 -1.027 . . . . 74.13 110.413 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . . . -71.42 -48.07 51.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 71.31 109.671 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -68.25 -33.75 62.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.407 -0.808 . . . . 61.31 110.014 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 3.7 m -58.77 -50.48 73.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 64.52 110.313 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.518 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.4 ptm -66.83 -31.76 72.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.846 . . . . 53.12 110.039 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG22 ' HG ' ' A' ' 113' ' ' LEU . 49.8 t -74.17 -37.52 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 72.54 110.78 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 12' ' ' SER . 9.9 pt-20 -78.1 -25.71 47.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 75.42 110.913 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -95.08 -17.43 21.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.956 -1.09 . . . . 72.31 110.482 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 7.3 t-20 -49.16 126.78 13.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 73.2 110.213 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 26.4 pttt -65.91 -36.54 83.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 72.13 110.713 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 9.9 m-20 -59.63 -48.21 82.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 62.51 110.003 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.551 ' CG1' HD21 ' A' ' 113' ' ' LEU . 26.7 mm -62.53 -36.21 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 41.23 109.658 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -53.94 -34.0 58.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 73.44 109.804 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -63.28 -40.13 96.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 64.4 109.827 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 52.1 mt -73.28 -43.42 61.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.386 -0.821 . . . . 74.33 109.61 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 mm? -83.05 -10.09 58.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.573 -0.705 . . . . 73.43 110.175 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . 39.4 mt-30 52.23 34.93 15.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 63.53 110.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' O ' ' CZ ' ' A' ' 21' ' ' ARG . 28.5 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 73.44 110.174 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.296 0.569 . . . . 74.52 110.294 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 76' ' ' SER . 30.7 mt -109.6 146.13 35.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -0.867 . . . . 74.44 110.032 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 137.02 53.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 72.45 110.536 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.834 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -121.51 164.31 17.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.499 -0.751 . . . . 52.33 110.05 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' GLY . 29.2 m-85 -138.46 153.03 48.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.115 -0.99 . . . . 72.0 110.424 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.779 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.489 2.221 0 C-N-CA 120.218 -0.991 . . . . 72.22 110.807 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' HA3' ' A' ' 40' ' ' GLY . 11.3 mm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.24 0.543 . . . . 73.44 110.513 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -99.7 148.55 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.182 -0.949 . . . . 73.11 109.967 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.76 150.49 42.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 64.55 110.498 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.9 p -100.05 145.48 27.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 62.32 110.131 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 126.47 37.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 72.31 110.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 75.14 110.079 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 88' ' ' LYS . 35.1 ttp180 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.279 0.561 . . . . 71.53 110.26 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -84.6 131.67 34.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.944 . . . . 64.41 110.401 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -109.9 142.25 41.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.918 . . . . 55.21 109.914 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 57' ' ' THR . 43.8 m-70 -117.38 137.49 52.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.204 -0.935 . . . . 74.23 110.391 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 10.2 m-85 -124.31 135.75 53.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 74.45 110.153 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm -141.6 143.84 33.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.166 -0.959 . . . . 74.35 110.263 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 149.65 38.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.935 . . . . 74.04 110.453 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 1.8 p90 -155.94 165.29 36.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -0.851 . . . . 70.41 110.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 m80 -102.05 157.4 16.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.161 -0.962 . . . . 62.1 109.965 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.826 HG22 ' HB2' ' A' ' 38' ' ' ALA . 75.7 t -124.87 140.63 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.238 -0.914 . . . . 63.02 110.14 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -119.08 122.13 41.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.228 -0.92 . . . . 73.53 110.462 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 36' ' ' LEU . 24.2 p -114.62 175.1 5.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 73.32 110.16 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -79.42 -17.32 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 53.41 110.318 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.81 -24.8 14.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 74.4 110.234 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 -166.57 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.335 -0.853 . . . . 74.32 110.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' VAL . 3.5 mp -125.68 144.93 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.244 -0.91 . . . . 63.42 110.098 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.16 157.99 44.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 44.01 110.513 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -112.82 137.99 50.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 74.41 109.684 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 103' ' ' VAL . 84.1 t -119.39 133.33 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 74.43 111.007 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 10.0 t60 -130.32 135.56 48.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.5 -0.75 . . . . 72.51 109.072 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -141.58 153.0 44.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 70.52 111.32 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' TYR . 1.1 tt0 -126.68 130.38 50.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.737 . . . . 71.12 109.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -123.31 153.33 40.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.014 -1.053 . . . . 44.51 111.067 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 65' ' ' ARG . 4.9 ttpt -119.77 144.38 47.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.515 -0.74 . . . . 75.0 109.819 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.2 pp20? . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 65.11 110.251 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 110.213 -0.726 . . . . 71.52 110.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.85 117.31 21.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.153 -0.967 . . . . 73.31 110.437 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 9' ' ' ARG . 65.4 m-85 -68.45 136.74 53.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 73.35 109.876 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -119.33 -19.94 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 60.04 110.454 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 37.8 m-20 -145.2 129.71 17.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 75.14 110.381 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 120.01 7.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.474 -0.766 . . . . 73.12 110.174 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.7 p90 -146.95 163.18 36.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.22 -0.925 . . . . 75.23 109.961 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 58.7 t -124.69 151.75 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 75.22 110.473 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.55 115.58 30.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 42.31 110.152 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 33.9 t -106.98 128.08 26.78 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 63.21 110.319 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.3 Cg_exo -64.24 126.33 16.87 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.84 1.442 . . . . 55.12 110.367 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.63 13.81 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.971 -1.252 . . . . 63.22 109.971 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 29.0 mt-10 -119.17 161.04 21.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.136 -1.214 . . . . 62.12 109.891 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 145.29 37.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 55.24 110.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -62.31 125.92 25.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.946 . . . . 71.11 110.37 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.541 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.0 t80 -94.35 128.06 40.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 73.14 109.976 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 21.2 p90 -76.41 137.17 39.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.917 . . . . 73.23 110.596 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.626 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -93.91 -37.62 11.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 72.13 109.947 179.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 101' ' ' MET . 26.0 mt -111.98 -46.59 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 75.13 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 1.7 ttpt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.296 -0.877 . . . . 73.45 110.208 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.281 0.562 . . . . 73.24 109.818 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -64.9 -48.2 75.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 72.24 109.863 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.35 -31.35 67.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.931 . . . . 73.31 109.86 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.9 -41.54 98.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.393 -0.817 . . . . 74.24 109.767 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -36.4 52.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.886 . . . . 75.24 109.669 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -56.04 -51.89 66.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 72.31 110.483 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 2.5 ptt180 -59.84 -37.94 80.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.129 -0.982 . . . . 74.21 109.897 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -65.25 -47.53 76.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 41.45 109.743 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.755 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -66.65 -30.82 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 73.31 109.78 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.4 -44.92 95.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 75.13 110.253 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.8 ptp -72.54 -30.69 64.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.912 . . . . 50.32 109.964 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.1 t -72.11 -40.73 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.861 . . . . 54.13 110.614 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB2' HD12 ' A' ' 36' ' ' LEU . 2.4 pp20? -78.19 -21.05 50.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 74.33 110.613 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 27.0 pttt -96.76 -15.03 21.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.12 -0.987 . . . . 74.41 110.411 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 120.71 6.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 71.34 110.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -65.5 -26.1 67.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 64.44 110.381 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 42.5 m-20 -72.04 -44.03 64.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.172 -0.955 . . . . 74.44 110.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.3 -35.62 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 72.32 110.268 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' GLN . 17.0 ttm180 -52.13 -35.79 49.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.116 -0.99 . . . . 73.45 110.128 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.09 91.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 72.15 110.081 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD11 ' CG ' ' A' ' 111' ' ' TYR . 32.1 mt -73.1 -46.46 51.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 74.25 109.476 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -88.21 5.64 40.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.621 -0.674 . . . . 72.52 110.125 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 21' ' ' ARG . 40.1 mt-30 48.74 30.45 2.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.127 -0.983 . . . . 73.32 109.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 36' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.29 -0.881 . . . . 65.23 110.357 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.391 0.615 . . . . 54.03 110.248 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.785 HD11 ' SG ' ' A' ' 26' ' ' CYS . 27.9 mt -109.77 146.92 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.828 . . . . 74.1 110.236 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 141.51 46.96 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.276 -0.89 . . . . 72.1 109.736 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -144.8 158.48 43.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 70.45 110.9 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 9.1 p90 -144.04 157.34 44.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 63.44 109.759 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' HA2' ' CB ' ' A' ' 72' ' ' PHE . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 109.787 -1.325 . . . . 72.34 109.787 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ILE . 24.7 mm . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.279 0.561 . . . . 64.12 110.06 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.0 t -97.36 142.29 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 70.11 110.2 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 m -121.41 145.83 47.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.211 -0.93 . . . . 73.05 110.118 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 33.8 p -99.93 145.66 27.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.316 -0.865 . . . . 64.22 110.342 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -133.8 126.37 30.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.304 -0.873 . . . . 73.14 110.138 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.871 . . . . 75.22 110.042 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.318 0.58 . . . . 75.34 110.035 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 2.3 m -82.23 131.13 35.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 61.15 110.598 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -113.75 142.44 46.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 70.41 109.731 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -120.08 142.71 48.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.087 -1.008 . . . . 73.42 110.612 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 72.6 m-85 -126.38 125.87 42.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 65.45 109.96 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.496 ' CE ' ' HB2' ' A' ' 7' ' ' PHE . 2.7 ttt -134.53 137.88 44.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.218 -0.926 . . . . 75.31 110.45 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' ND1' ' A' ' 84' ' ' HIS . 3.9 mtt180 -138.41 142.78 39.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.882 . . . . 74.25 109.974 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.633 ' HE1' HG23 ' A' ' 11' ' ' VAL . 19.7 p90 -152.62 155.18 36.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 65.42 110.403 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.854 ' CD2' HD13 ' A' ' 82' ' ' LEU . 23.6 m170 -101.01 160.02 14.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.216 -0.927 . . . . 65.4 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.1 t -129.18 148.95 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.839 . . . . 72.33 109.895 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG2' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -127.68 117.82 22.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 74.13 110.736 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.581 ' OG ' HD22 ' A' ' 36' ' ' LEU . 2.3 t -114.13 175.24 5.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.378 -0.827 . . . . 65.14 110.203 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HE2' ' HE2' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -77.23 -15.91 59.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.301 -0.874 . . . . 75.24 110.052 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -93.29 -28.56 16.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.304 -0.873 . . . . 64.21 109.952 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 173.1 -174.58 0.05 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 74.42 110.05 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 mp -115.24 142.44 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 74.42 110.25 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.1 157.98 40.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 75.24 110.403 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.854 HD13 ' CD2' ' A' ' 73' ' ' HIS . 12.2 tp -113.99 133.05 55.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 71.23 109.465 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.542 ' CG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.4 t -120.76 126.32 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 72.23 111.146 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.512 ' ND1' ' HG2' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -124.22 128.34 49.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.824 . . . . 73.4 109.222 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 4.2 pp -128.66 148.05 50.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 60.23 111.361 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 3.2 mt-10 -119.46 131.06 55.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 73.22 109.221 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -121.01 153.12 37.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 75.21 111.2 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -129.05 144.25 51.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.696 -0.628 . . . . 61.43 109.381 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 7.4 pt-20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 61.05 110.449 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 N--CA 1.484 0.948 0 N-CA-C 110.156 -0.748 . . . . 65.41 110.156 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -120.39 126.58 50.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.115 -0.991 . . . . 63.32 110.344 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 85' ' ' LEU . 22.8 m-85 -60.18 139.07 57.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 65.34 110.047 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.48 -23.06 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 64.55 110.016 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -147.54 129.59 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 70.23 109.733 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.929 ' HB2' HD12 ' A' ' 114' ' ' ILE . 15.6 ttt -148.81 131.91 16.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.057 -1.027 . . . . 73.33 110.985 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 24.4 p90 -148.54 155.3 40.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 72.52 109.903 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 p -120.87 142.24 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.043 -1.036 . . . . 73.54 110.469 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.1 114.97 29.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 72.23 109.891 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.74 130.66 22.68 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.226 -0.921 . . . . 74.22 109.979 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -67.18 126.52 15.2 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 123.823 1.433 . . . . 73.22 110.484 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.85 -18.7 24.96 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.178 -1.169 . . . . 70.33 110.178 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.78 163.31 15.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.046 -1.267 . . . . 53.32 110.485 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.75 127.55 32.63 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.83 . . . . 75.41 110.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 138.73 29.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.179 -0.951 . . . . 72.51 110.039 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.3 t80 -117.86 129.07 55.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.268 -0.895 . . . . 73.04 110.262 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 16.1 p90 -82.35 141.37 32.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.9 . . . . 73.25 110.239 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.72 -27.56 12.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 64.51 110.236 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.929 HD12 ' HB2' ' A' ' 101' ' ' MET . 42.3 mt -111.75 -47.42 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 74.45 110.544 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 72.1 110.25 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' OD2' ' O ' ' A' ' 54' ' ' ILE . 1.7 p30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.27 0.557 . . . . 52.15 110.231 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.1 m -54.06 -51.96 62.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 50.43 110.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -55.76 -30.46 61.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 63.24 109.91 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -40.48 96.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.869 . . . . 72.44 110.232 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.67 -36.68 60.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -0.848 . . . . 71.31 109.836 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.14 -45.85 75.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.857 . . . . 63.31 110.432 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.7 ptm180 -74.33 -35.46 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.924 . . . . 70.41 110.484 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -65.1 -41.19 95.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 71.0 110.219 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.883 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -71.29 -33.92 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.221 -0.925 . . . . 75.41 110.126 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -52.63 -49.09 65.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.314 -0.866 . . . . 64.21 110.289 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.5 ppp? -71.72 -29.57 64.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.291 -0.881 . . . . 74.34 110.083 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 83' ' ' VAL . 19.8 t -74.67 -44.05 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 64.32 110.488 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -77.53 -22.64 50.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.16 -0.963 . . . . 74.44 110.346 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -97.24 -14.84 21.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 75.44 110.107 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.92 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.1 t30 -46.82 121.68 3.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 61.11 110.392 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.54 -31.1 72.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.953 . . . . 54.53 110.099 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.68 -42.16 78.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.5 110.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.57 -33.95 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 75.52 110.201 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.5 mtp-105 -55.06 -36.79 65.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 71.01 110.184 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -36.56 84.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 71.1 110.02 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -73.66 -42.57 61.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.208 -0.933 . . . . 74.15 109.75 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 2.4 mm? -78.98 -10.0 59.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 63.42 110.507 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' CYS . 26.0 mt-30 55.5 33.55 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -0.954 . . . . 74.13 109.682 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' LEU . 98.9 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.367 -0.833 . . . . 75.22 110.608 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.183 0.516 . . . . 73.01 109.702 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 76' ' ' SER . 72.6 mt -109.56 143.12 39.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.098 -1.001 . . . . 63.24 110.926 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.88 129.56 38.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.429 -0.794 . . . . 41.2 109.698 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.883 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -120.49 163.86 17.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 74.11 110.518 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 6.2 p90 -159.36 171.29 20.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.301 -0.875 . . . . 71.22 109.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.487 2.081 0 N-CA-C 109.245 -1.542 . . . . 62.25 109.245 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' ' OD2' ' A' ' 3' ' ' ASP . 19.8 mm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.509 -0.552 . . . . 73.1 109.509 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.89 143.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.257 -0.902 . . . . 64.45 110.154 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -123.98 151.84 43.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.457 -0.777 . . . . 62.43 110.608 -179.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -100.02 147.36 25.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 71.54 110.309 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 127.27 36.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 72.51 110.047 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 74.23 110.185 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.276 0.56 . . . . 74.44 110.172 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 23.0 m -93.64 141.04 28.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.289 -0.882 . . . . 72.52 110.304 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -105.56 146.2 29.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 71.23 109.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 56' ' ' SER . 63.7 t-80 -117.2 136.13 53.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 72.45 110.286 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 74.5 m-85 -125.95 119.65 28.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 74.12 110.034 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.445 ' HE2' HG21 ' A' ' 54' ' ' ILE . 12.4 ttt -137.77 140.51 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.175 -0.953 . . . . 64.25 110.158 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -149.88 149.47 30.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 72.43 110.714 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.625 ' CE2' HG23 ' A' ' 11' ' ' VAL . 7.2 p90 -150.14 156.97 42.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.385 -0.822 . . . . 71.44 109.819 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' CE1' HD11 ' A' ' 82' ' ' LEU . 17.2 m-70 -92.3 154.6 18.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 74.54 110.495 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.701 HG22 ' HB2' ' A' ' 38' ' ' ALA . 19.2 t -126.62 131.21 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 72.33 109.85 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.02 123.95 47.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 63.42 110.355 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 36' ' ' LEU . 1.2 t -109.21 170.38 8.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 42.45 110.097 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -76.28 -16.43 59.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 62.51 110.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -29.17 11.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 54.44 110.34 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -170.09 -164.26 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.013 . . . . 75.33 110.478 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.05 141.75 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 64.24 109.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.88 157.23 45.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 42.54 110.44 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' NE2' ' A' ' 84' ' ' HIS . 0.5 OUTLIER -114.91 137.95 51.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.39 -0.819 . . . . 52.22 109.831 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 14' ' ' VAL . 44.8 t -114.88 130.15 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.154 -0.966 . . . . 74.33 110.772 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.625 ' NE2' HD22 ' A' ' 82' ' ' LEU . 26.2 m-70 -128.99 124.3 34.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 72.42 109.491 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -130.62 150.15 51.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.086 -1.009 . . . . 61.04 111.051 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG3' ' CD1' ' A' ' 69' ' ' TYR . 1.2 mp0 -121.46 136.51 54.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.536 -0.727 . . . . 72.5 109.362 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.776 ' HB2' ' HD2' ' A' ' 98' ' ' PHE . . . -135.82 150.92 49.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.886 -1.134 . . . . 65.02 111.1 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 144.0 48.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.565 -0.71 . . . . 55.43 109.394 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.095 -1.003 . . . . 73.52 110.979 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 N--CA 1.483 0.894 0 N-CA-C 110.257 -0.709 . . . . 74.32 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.07 128.17 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.927 . . . . 73.15 110.183 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.776 ' HD2' ' HB2' ' A' ' 87' ' ' ALA . 25.7 m-85 -59.03 138.35 57.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 75.42 110.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 99' ' ' ILE . 1.3 pt -118.97 -20.78 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 53.13 109.817 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 28.4 m-20 -141.6 130.0 22.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.356 -0.84 . . . . 75.13 109.883 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.803 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 118.53 6.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 61.45 110.621 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 44.8 p90 -147.43 158.28 43.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 74.43 109.863 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 28.5 t -122.49 150.85 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.089 -1.007 . . . . 74.11 110.5 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 13.9 t0 -112.65 118.52 35.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.886 . . . . 74.24 109.936 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 40.2 t -110.1 124.93 32.18 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 74.21 110.267 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 17.1 Cg_exo -63.13 127.2 19.61 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.891 1.469 . . . . 63.34 110.424 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.65 -20.3 24.26 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.744 -1.342 . . . . 74.32 109.744 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.444 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 56.5 mm-40 -118.77 156.33 29.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -1.149 . . . . 61.33 110.053 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 133.1 42.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.973 . . . . 72.31 109.927 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 10.2 ptp180 -61.07 143.54 55.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 72.41 110.335 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -120.42 133.24 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.397 -0.814 . . . . 73.12 110.357 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.5 m-85 -79.72 147.07 32.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 73.12 110.28 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.92 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.67 -41.02 6.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.246 -0.909 . . . . 64.43 110.493 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 101' ' ' MET . 61.1 mt -107.46 -68.4 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 73.32 110.417 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 114' ' ' ILE . 4.6 pttp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.497 -0.752 . . . . 74.45 110.805 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 1.9 p30 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.299 0.571 . . . . 52.15 110.364 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -56.65 -45.98 81.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.218 -0.926 . . . . 50.43 110.355 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.05 -32.65 71.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.173 -0.954 . . . . 63.24 110.493 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.27 -40.8 95.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.153 -0.967 . . . . 72.44 110.199 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -35.76 57.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 71.31 109.761 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -56.86 -51.72 67.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 63.31 110.356 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.9 ptm180 -66.41 -32.0 73.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 70.41 109.948 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -67.56 -50.96 56.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.419 -0.8 . . . . 71.0 109.494 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.999 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -65.19 -34.69 72.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 75.41 109.857 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 21.0 t -62.56 -46.94 86.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.387 -0.821 . . . . 64.21 110.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.556 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.21 -29.83 64.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -0.969 . . . . 74.34 110.02 179.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 10' ' ' ALA . 72.3 t -72.12 -40.7 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 64.32 110.555 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 1.016 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.3 pp20? -77.08 -19.97 56.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.003 . . . . 74.44 110.363 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -100.07 -16.12 17.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.139 -0.976 . . . . 75.44 110.401 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' MET . 2.6 t30 -53.95 121.68 8.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 61.11 110.207 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -42.55 67.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.204 -0.935 . . . . 54.53 110.181 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 9.3 m-20 -61.65 -43.84 98.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 73.5 110.197 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 111' ' ' TYR . 51.5 mm -74.67 -35.63 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 75.52 109.994 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -50.95 -41.4 59.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 71.01 109.751 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.5 70.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.852 . . . . 71.1 109.95 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 19' ' ' ASP . 11.5 mt -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.301 -0.874 . . . . 74.15 109.8 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 1.8 mm? -84.77 -10.03 57.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.344 -0.848 . . . . 63.42 110.184 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 53.66 41.9 31.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.27 -0.894 . . . . 74.13 110.014 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.33 -0.856 . . . . 75.22 110.27 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.48 0.657 . . . . 73.01 110.817 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.016 HD12 ' HB2' ' A' ' 15' ' ' GLU . 25.0 mt -109.73 147.34 33.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.44 -0.787 . . . . 63.24 109.336 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 131.15 55.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 41.2 111.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.999 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -137.8 151.87 48.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.731 -0.606 . . . . 74.11 109.569 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.3 p90 -157.29 167.22 30.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.024 -1.048 . . . . 71.22 110.431 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 109.194 -1.563 . . . . 62.25 109.194 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.701 HG21 ' CE ' ' A' ' 70' ' ' MET . 25.8 mm . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.382 0.61 . . . . 73.1 110.576 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.21 151.99 6.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.363 -0.836 . . . . 64.45 109.843 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 150.46 50.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 62.43 110.758 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.1 p -101.37 146.05 28.1 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.355 -0.841 . . . . 71.54 109.67 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 6.7 ptpt -129.22 124.65 35.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 72.51 110.722 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 74.23 109.558 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.177 0.513 . . . . 74.44 110.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 7.3 m -97.8 129.51 44.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 72.52 110.645 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -105.93 136.72 45.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 71.23 109.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' A' ' 66' ' ' THR . 15.6 m170 -118.2 142.51 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 72.45 110.787 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' CE1' ' OE2' ' A' ' 86' ' ' GLU . 70.1 m-85 -124.95 121.29 34.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.337 -0.852 . . . . 74.12 109.693 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.701 ' CE ' HG21 ' A' ' 54' ' ' ILE . 2.6 ttt -135.07 144.16 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.093 -1.004 . . . . 64.25 110.609 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.8 143.62 25.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.353 -0.842 . . . . 72.43 110.156 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 11' ' ' VAL . 10.1 p90 -147.62 152.47 37.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 71.44 110.097 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.505 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 21.2 m170 -90.06 155.76 18.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 74.54 110.451 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 38' ' ' ALA . 10.6 t -128.92 130.83 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -0.867 . . . . 72.33 109.988 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.94 128.8 54.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.174 -0.954 . . . . 63.42 110.358 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.521 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.6 172.14 7.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 42.45 110.092 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -13.69 59.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 62.51 110.213 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -106.76 -28.83 9.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.302 -0.874 . . . . 54.44 110.534 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -170.75 -168.19 0.65 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 75.33 110.547 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.67 144.5 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.312 -0.868 . . . . 64.24 109.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.02 157.82 43.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 42.54 110.568 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -114.9 135.96 53.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.38 -0.825 . . . . 52.22 109.484 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.61 ' CG1' ' HE2' ' A' ' 101' ' ' MET . 41.6 t -118.4 127.22 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 74.33 111.026 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 1.3 m-70 -123.21 132.88 54.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 72.42 109.598 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.6 pp -141.74 153.89 44.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.98 -1.075 . . . . 61.04 111.107 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' OE1' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -130.1 126.87 38.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.484 -0.76 . . . . 72.5 109.311 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -111.17 150.64 29.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 65.02 110.92 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 99' ' ' ILE . 16.3 ttpt -134.66 138.56 44.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.582 -0.699 . . . . 55.43 109.612 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 73.52 110.299 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.482 0.821 0 N-CA-C 110.175 -0.74 . . . . 74.32 110.175 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.76 125.51 54.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 73.15 110.429 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 85' ' ' LEU . 73.7 m-85 -59.53 134.67 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 75.42 109.76 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.5 pt -121.77 -15.68 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.183 -0.948 . . . . 53.13 110.56 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 56.5 m-80 -155.89 131.7 9.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 75.13 110.483 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.61 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.63 127.22 12.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 61.45 110.325 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 21.6 p90 -147.23 149.69 33.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.226 -0.921 . . . . 74.43 110.372 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 82' ' ' LEU . 9.1 p -120.94 150.04 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.203 -0.936 . . . . 74.11 110.386 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.44 117.01 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.356 -0.84 . . . . 74.24 110.224 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.4 p -116.19 131.21 23.9 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 74.21 110.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 14.1 Cg_exo -64.5 132.38 33.1 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.89 1.468 . . . . 63.34 110.742 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.22 21.51 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.105 -1.198 . . . . 74.32 110.105 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 105' ' ' VAL . 2.3 mt-10 -118.88 164.37 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.073 -1.251 . . . . 61.33 110.373 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.7 129.57 34.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 72.31 110.257 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -52.63 139.83 24.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 72.41 110.253 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 11.8 t80 -117.6 126.32 52.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.359 -0.838 . . . . 73.12 109.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 32.9 m-85 -76.88 137.39 39.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 73.12 110.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -92.35 -37.74 12.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 64.43 110.093 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 54.8 mt -116.87 -51.84 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 73.32 110.193 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 74.45 110.154 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 4' ' ' THR . 1.7 p30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.12 0.486 . . . . 54.31 110.1 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.506 ' N ' ' OD2' ' A' ' 3' ' ' ASP . 19.5 m -58.62 -44.42 89.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 65.32 109.869 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -67.76 -35.26 78.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 65.14 109.721 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 68.8 mt -61.58 -38.8 88.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 63.34 109.974 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.07 -35.25 64.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.268 -0.895 . . . . 64.43 109.479 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' SER . 7.1 m-20 -62.43 -51.58 66.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 70.2 110.176 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 10.0 ptm180 -68.18 -41.65 81.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.164 -0.96 . . . . 73.32 109.914 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -59.59 -49.24 78.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 73.22 109.822 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.56 -36.52 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.251 -0.906 . . . . 72.2 109.986 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -57.32 -51.05 70.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 75.01 109.929 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.532 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 6.3 ptt? -65.32 -31.73 73.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.276 -0.89 . . . . 64.54 109.835 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 10' ' ' ALA . 75.7 t -73.97 -35.67 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 64.32 110.442 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HB2' HD12 ' A' ' 36' ' ' LEU . 8.7 pt-20 -80.65 -21.04 41.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 71.4 110.678 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 6.9 ptmm? -98.57 -17.02 18.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 73.31 110.406 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.623 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.0 t30 -47.84 119.48 2.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 61.4 110.022 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.7 pttm -58.01 -38.11 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 75.1 110.185 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.49 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 21.5 m-20 -57.51 -49.53 76.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.915 . . . . 71.22 109.531 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 111' ' ' TYR . 46.8 mm -67.49 -33.94 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.891 . . . . 71.41 109.433 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 1.7 ttt85 -52.65 -35.52 55.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.448 -0.782 . . . . 72.02 109.457 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -64.53 -40.35 95.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 72.31 109.763 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 111' ' ' TYR . 58.5 mt -71.97 -42.31 66.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 62.41 109.319 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.48 -10.16 59.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.521 -0.737 . . . . 53.41 110.184 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 15.7 mt-30 51.29 30.09 5.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 72.33 109.815 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' HB3' HD12 ' A' ' 24' ' ' LEU . 27.3 p . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.35 -0.844 . . . . 72.55 110.493 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.464 0.649 . . . . 73.52 110.6 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.5 mt -109.66 147.73 32.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.485 -0.759 . . . . 61.21 109.946 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -113.37 133.87 54.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.39 -0.819 . . . . 62.53 110.999 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -140.09 136.23 33.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.576 -0.703 . . . . 61.54 109.591 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.6 p90 -135.28 165.2 25.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.121 -0.987 . . . . 64.34 110.639 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.557 -1.417 . . . . 54.4 109.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 21.8 mm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.127 0.489 . . . . 73.25 110.332 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -101.38 151.4 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 62.1 110.095 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.3 p -129.19 151.45 49.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 64.4 110.462 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 29.1 p -105.82 146.55 29.75 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.49 -0.756 . . . . 75.21 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -135.21 127.11 29.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.03 110.407 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 70.31 109.923 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' CD ' ' NE2' ' A' ' 67' ' ' HIS . 11.2 ttm180 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.246 0.546 . . . . 71.13 110.133 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m -93.9 134.78 35.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 64.12 110.415 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.44 ' NE2' ' CD ' ' A' ' 65' ' ' ARG . 36.1 m80 -109.02 149.05 29.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 72.4 109.885 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -120.77 137.94 54.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.214 -0.928 . . . . 72.03 110.731 -179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 48.5 m-85 -127.18 125.86 41.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 74.31 109.592 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.467 ' C ' ' HG3' ' A' ' 71' ' ' ARG . 5.6 ttm -141.24 147.85 38.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.002 . . . . 63.32 110.762 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' NE ' ' CE1' ' A' ' 84' ' ' HIS . 48.2 mtt180 -147.64 144.36 28.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.401 -0.812 . . . . 74.52 109.899 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -148.81 157.15 43.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -0.955 . . . . 73.42 109.94 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -98.5 150.11 22.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -0.883 . . . . 75.43 109.731 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG13 ' HB2' ' A' ' 38' ' ' ALA . 13.8 t -124.22 138.39 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 62.42 110.46 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.66 119.7 34.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.267 -0.895 . . . . 60.24 110.243 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 53.5 p -111.15 172.99 6.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.915 . . . . 74.54 110.29 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.44 -14.37 60.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 72.32 110.276 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.65 -27.83 12.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -0.882 . . . . 50.31 110.389 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -173.91 -159.65 0.1 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.254 -0.904 . . . . 73.5 110.254 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 74' ' ' VAL . 4.8 mt -132.41 142.49 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 60.14 109.952 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -136.89 154.68 50.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 43.34 110.758 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 8.7 tt -115.1 138.16 51.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 71.53 109.616 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HG22 ' A' ' 103' ' ' VAL . 12.3 t -104.92 138.01 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.092 -1.005 . . . . 74.32 111.213 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.605 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.79 117.89 20.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.547 -0.72 . . . . 63.32 109.547 179.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.6 pp -132.12 153.38 50.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.977 -1.077 . . . . 74.14 110.975 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' O ' HG12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -132.05 119.16 20.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.408 -0.807 . . . . 73.32 109.512 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -118.97 148.82 42.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.948 . . . . 74.4 110.549 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' ' OD2' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -134.47 143.09 47.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.38 -0.825 . . . . 62.22 110.163 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 74.11 110.098 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo . . . . . 0 N--CA 1.483 0.87 0 N-CA-C 110.126 -0.759 . . . . 75.04 110.126 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.0 p-10 -112.12 141.93 45.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -0.937 . . . . 73.23 109.975 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -72.1 131.54 42.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 61.25 110.473 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 86' ' ' GLU . 2.6 pt -114.34 -19.45 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.817 . . . . 55.31 109.549 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 31.3 m-20 -147.43 129.9 15.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 75.42 109.813 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -147.54 117.47 7.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.931 . . . . 70.14 110.203 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 7.6 p90 -145.23 153.36 41.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.215 -0.928 . . . . 73.4 110.272 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 82' ' ' LEU . 74.4 t -122.88 148.91 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 64.45 110.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 125.08 53.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.96 . . . . 74.04 110.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 t -123.55 129.6 24.8 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.255 -0.903 . . . . 73.34 110.174 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 20.6 Cg_endo -65.89 127.72 18.36 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.885 1.466 . . . . 72.22 110.211 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.3 -19.35 39.98 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.312 -1.515 . . . . 64.02 109.312 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -115.2 169.98 8.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -1.12 . . . . 73.23 110.049 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -93.27 143.64 26.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 72.24 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.8 133.77 55.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.216 -0.927 . . . . 74.52 110.243 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -118.39 128.45 54.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 74.24 109.975 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 46.6 m-85 -82.08 139.78 34.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 73.33 110.657 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.623 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -98.02 -27.46 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.323 -0.861 . . . . 74.21 109.81 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 115' ' ' LYS . 9.9 mt -123.01 -75.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.375 -0.828 . . . . 65.21 110.097 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 71.4 110.181 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 86.8 m-20 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.123 0.487 . . . . 65.3 110.249 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -55.4 -47.38 75.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 71.33 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -30.56 69.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 61.44 110.076 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -62.29 -40.34 95.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 73.21 110.003 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.18 -33.34 61.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 74.15 109.801 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.47 -44.1 97.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 73.43 110.587 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -67.21 -34.96 78.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 74.44 110.138 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -70.41 -44.48 67.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.174 -0.954 . . . . 72.34 109.768 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.68 -32.38 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.355 -0.84 . . . . 63.11 109.877 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 5.3 m -59.42 -46.26 89.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 64.42 110.162 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -71.34 -29.72 65.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.894 . . . . 53.41 109.987 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' N ' ' HG3' ' A' ' 13' ' ' MET . 31.1 t -74.03 -46.56 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.966 . . . . 55.25 110.417 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 12' ' ' SER . 12.8 pt-20 -74.22 -17.54 60.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.219 -0.926 . . . . 74.22 110.447 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -102.66 -15.48 16.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.153 -0.967 . . . . 72.33 109.991 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' OD1' HD21 ' A' ' 113' ' ' LEU . 1.3 t30 -44.3 118.54 1.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -0.804 . . . . 73.02 110.203 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -30.92 69.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.163 -0.961 . . . . 74.11 110.162 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.57 -48.35 60.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 71.52 109.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CG1' HD11 ' A' ' 113' ' ' LEU . 25.1 mm -68.99 -31.97 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.199 -0.938 . . . . 71.14 109.717 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.517 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -49.9 -33.17 16.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 74.23 109.741 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -37.2 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 74.13 109.685 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.25 -43.6 60.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.329 -0.857 . . . . 71.44 110.173 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 76' ' ' SER . 12.6 tp -83.74 -10.18 58.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.487 -0.758 . . . . 72.22 110.405 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB2' ' HD2' ' A' ' 78' ' ' LYS . 33.4 mt-30 51.4 31.83 7.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.191 -0.943 . . . . 65.22 110.375 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 11.6 p . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 64.13 109.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 63.44 109.386 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 9.8 mt -106.8 147.01 30.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 72.23 110.953 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -120.01 138.08 53.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 71.51 110.155 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.81 163.74 28.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.419 -0.801 . . . . 71.14 110.355 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 2.7 p90 -149.92 154.22 37.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.35 -0.843 . . . . 72.05 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.953 -1.259 . . . . 73.35 109.953 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.511 0.672 . . . . 73.43 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.96 153.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.493 -0.754 . . . . 75.14 110.708 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.63 144.07 49.84 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 72.0 110.026 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.2 p -101.1 140.06 35.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 62.44 110.493 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -120.36 125.55 48.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.296 -0.878 . . . . 72.5 110.363 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 72.32 109.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB3' ' NE2' ' A' ' 67' ' ' HIS . 2.7 tpp85 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.231 0.539 . . . . 53.35 110.102 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 83.5 m -80.12 124.24 28.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 64.14 110.435 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 65' ' ' ARG . 33.2 m170 -107.44 143.08 36.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 75.2 109.846 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -118.56 136.18 54.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.168 -0.958 . . . . 54.54 110.718 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.3 m-85 -122.03 121.09 36.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.389 -0.819 . . . . 74.43 109.946 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.6 ttm -138.05 134.09 34.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -0.919 . . . . 63.3 110.338 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -144.78 144.65 31.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 70.44 110.146 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.409 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -149.13 152.1 35.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.24 -0.913 . . . . 64.22 110.095 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.609 ' CE1' HD11 ' A' ' 82' ' ' LEU . 14.3 m-70 -92.64 159.38 15.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 73.02 110.395 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.2 t -126.34 137.73 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.366 -0.834 . . . . 64.44 110.1 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 117.85 30.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 52.21 110.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.479 ' HB2' HD21 ' A' ' 24' ' ' LEU . 8.5 t -111.51 172.84 6.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -0.843 . . . . 72.53 110.223 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -15.44 58.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 75.33 110.223 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HD2' ' HB2' ' A' ' 25' ' ' GLN . 7.7 mttt -100.06 -27.59 13.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.872 . . . . 70.25 110.529 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 175.18 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.113 -0.992 . . . . 72.52 110.478 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.81 142.7 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 55.41 110.136 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.44 156.04 49.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 32.35 110.386 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.736 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.1 tt -113.24 136.9 52.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 54.25 110.014 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.2 t -116.02 132.45 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.21 -0.931 . . . . 75.25 110.649 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 43.5 t60 -130.05 131.15 45.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.4 -0.813 . . . . 74.1 109.558 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.692 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.7 pp -140.14 149.71 43.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.981 -1.075 . . . . 72.14 111.0 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -121.52 137.65 54.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.452 -0.78 . . . . 71.14 109.35 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.48 141.41 49.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.049 -1.032 . . . . 65.31 110.956 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.44 143.87 47.8 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.361 -0.837 . . . . 65.32 109.613 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 70.13 110.234 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 N--CA 1.482 0.808 0 N-CA-C 110.466 -0.628 . . . . 73.12 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.3 155.05 51.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 72.44 110.057 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.692 ' CD2' HD13 ' A' ' 85' ' ' LEU . 40.3 m-85 -80.93 139.15 36.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.237 -0.914 . . . . 71.04 110.514 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 88' ' ' LYS . 2.7 pt -118.12 -18.44 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.257 -0.902 . . . . 72.11 109.633 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -143.69 129.32 19.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.839 . . . . 63.41 109.739 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.548 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.6 121.71 8.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 71.41 110.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 31.0 p90 -147.8 156.94 43.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 64.35 110.093 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 82' ' ' LEU . 29.0 t -125.97 147.98 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 72.45 110.336 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.44 115.28 29.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 72.01 110.26 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.542 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 6.4 p -109.17 132.82 21.0 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 44.35 110.012 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -69.32 131.32 21.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 63.51 111.301 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.29 -21.19 13.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.346 -1.102 . . . . 54.24 110.346 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.542 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.5 mt-10 -119.87 158.91 25.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.956 -1.32 . . . . 73.42 110.431 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 149.4 46.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.181 -0.949 . . . . 75.2 109.795 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -70.06 136.21 50.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.234 -0.916 . . . . 73.41 110.38 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.79 130.58 56.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.345 -0.847 . . . . 71.23 109.911 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.55 ' CD2' ' CB ' ' A' ' 115' ' ' LYS . 20.5 p90 -85.26 143.99 28.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 75.33 110.34 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.544 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -95.89 -38.58 10.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 50.21 110.169 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 101' ' ' MET . 33.0 mt -106.85 -71.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 74.23 110.244 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' CB ' ' CD2' ' A' ' 112' ' ' TYR . 10.8 tttm . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 73.33 110.248 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.699 ' HA ' HD12 ' A' ' 6' ' ' LEU . 12.6 m-20 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.27 0.557 . . . . 74.1 110.032 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 m -58.87 -45.01 91.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 74.14 109.643 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.1 mt-30 -70.52 -31.05 67.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 73.45 109.825 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 3' ' ' ASP . 8.3 mt -53.87 -42.83 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 74.41 109.508 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -34.8 58.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.427 -0.796 . . . . 74.44 109.251 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.527 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 37.0 m-20 -62.28 -47.28 85.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.429 -0.795 . . . . 71.31 110.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 11.6 ptm180 -61.51 -32.3 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 73.21 110.022 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.84 -45.07 53.4 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.358 -0.839 . . . . 73.04 109.522 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.85 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.41 -30.65 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.783 . . . . 74.51 109.675 179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 t -60.13 -50.34 74.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.456 -0.778 . . . . 71.14 110.477 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 5.8 ptt? -67.41 -31.3 71.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.956 . . . . 60.01 109.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.501 HG21 ' HE3' ' A' ' 101' ' ' MET . 39.1 t -73.0 -50.83 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 72.01 110.821 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.09 -29.23 68.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.189 -0.944 . . . . 71.35 110.815 -179.286 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 16.3 ptpt -86.84 -14.41 42.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.083 . . . . 61.11 109.854 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.588 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.8 t30 -53.78 108.59 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 73.24 110.182 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -57.36 -34.22 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 54.13 110.008 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.523 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 35.3 m-20 -60.66 -49.23 78.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 72.13 109.734 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.04 -37.13 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 61.42 109.84 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -53.16 -34.11 55.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 73.02 109.481 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.1 p -58.43 -39.2 79.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 72.13 109.421 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.95 -42.67 72.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.631 -0.668 . . . . 73.1 109.314 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -79.35 -10.44 59.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 73.34 110.107 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' ARG . 12.7 mt-30 48.39 34.8 5.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 74.31 109.916 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 71.21 110.575 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.241 0.543 . . . . 74.35 109.844 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.791 HD22 ' OG ' ' A' ' 76' ' ' SER . 23.3 mt -109.44 145.69 35.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 64.41 110.529 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -115.19 131.05 57.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 73.43 109.988 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.85 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.45 158.77 30.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 71.22 110.29 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 19.0 m-85 -134.7 158.36 44.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 63.15 110.311 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.752 -1.339 . . . . 73.31 109.752 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.56 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 15.7 mm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.217 0.532 . . . . 43.25 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.1 153.27 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 54.43 110.265 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 p -120.2 148.39 43.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -0.883 . . . . 75.53 110.343 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.6 p -101.24 136.42 41.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.351 -0.843 . . . . 55.5 110.045 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -126.77 125.26 41.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.087 -1.008 . . . . 72.1 110.746 -179.749 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 75.31 109.539 179.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.115 0.483 . . . . 71.12 109.975 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.409 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 99.0 m -100.8 126.23 47.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.93 . . . . 72.21 110.565 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -105.77 143.56 33.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 72.34 109.773 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -119.16 137.23 53.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 75.02 110.812 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 86' ' ' GLU . 12.0 m-85 -124.48 120.25 31.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 74.45 109.601 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 140.56 49.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.063 -1.023 . . . . 63.24 110.718 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -149.14 143.01 25.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.368 -0.833 . . . . 73.45 110.017 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 11' ' ' VAL . 10.2 p90 -147.57 169.65 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.223 -0.923 . . . . 72.2 110.311 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 82' ' ' LEU . 14.5 m170 -100.94 146.41 27.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 74.22 110.37 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 38' ' ' ALA . 5.0 t -124.74 130.4 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.853 . . . . 70.12 109.385 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.26 120.05 36.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 73.43 110.735 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.791 ' OG ' HD22 ' A' ' 36' ' ' LEU . 1.6 m -117.01 165.81 12.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.369 -0.832 . . . . 62.42 109.897 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -13.53 58.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.14 110.16 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -97.27 -30.14 13.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 71.5 110.556 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 10.9 ptpt 174.58 169.63 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.247 -0.908 . . . . 72.14 110.295 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.24 134.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 71.4 109.438 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.98 157.6 27.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.164 -0.96 . . . . 54.32 110.716 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -115.97 120.68 39.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.471 -0.768 . . . . 70.12 109.276 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 HG23 ' A' ' 103' ' ' VAL . 18.2 t -110.81 130.89 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 64.44 111.368 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 4.6 t60 -130.69 129.65 42.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.547 -0.72 . . . . 64.24 109.233 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.1 pp -131.79 153.29 50.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.022 -1.049 . . . . 62.11 110.971 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.552 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -135.45 129.84 33.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.515 -0.741 . . . . 44.43 109.656 179.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.52 153.99 46.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.159 -0.963 . . . . 74.13 110.578 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' CD ' HD13 ' A' ' 99' ' ' ILE . 8.7 ptmt -132.75 143.17 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -0.812 . . . . 75.42 109.873 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 20.4 pt-20 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.219 -0.926 . . . . 75.1 110.357 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.457 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 37.9 Cg_endo . . . . . 0 N--CA 1.482 0.811 0 N-CA-C 110.426 -0.644 . . . . 74.42 110.426 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 0.9 OUTLIER -116.89 144.78 44.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 75.21 110.121 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.835 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 55.8 m-85 -79.09 139.07 38.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 75.32 110.213 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 88' ' ' LYS . 2.6 pt -119.32 -18.99 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.309 -0.869 . . . . 70.42 110.495 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -140.94 128.23 21.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 65.21 110.25 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.582 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -150.46 123.01 8.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 73.41 110.347 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 15.0 p90 -147.47 156.77 43.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.079 -1.013 . . . . 71.43 110.525 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 83' ' ' VAL . 7.9 p -119.27 140.67 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 72.41 110.224 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.47 124.09 48.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 71.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.29 126.66 28.01 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.315 -0.866 . . . . 73.54 110.029 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.7 126.91 16.15 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.849 1.447 . . . . 71.23 110.491 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 -20.51 21.1 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.644 -1.382 . . . . 45.32 109.644 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -118.98 170.32 9.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -1.141 . . . . 70.44 109.947 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.08 138.55 33.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.937 . . . . 75.42 110.286 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.5 ptm180 -66.46 143.49 57.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.866 . . . . 63.31 110.215 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.1 t80 -116.16 132.96 56.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.348 -0.845 . . . . 75.43 110.137 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 10.4 p90 -82.58 147.27 28.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 73.33 110.48 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.588 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.32 -44.78 5.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.414 -0.804 . . . . 63.32 110.159 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 101' ' ' MET . 82.9 mt -104.33 -45.91 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 72.52 110.372 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 14.0 tttp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 73.12 110.199 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.2 p30 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.195 0.521 . . . . 64.13 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.402 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 81.3 m -57.69 -43.98 85.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 55.02 109.876 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.48 -31.03 68.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.924 . . . . 62.04 109.895 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' SD ' ' A' ' 70' ' ' MET . 20.7 tp -58.31 -38.67 77.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.475 -0.765 . . . . 64.32 110.072 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.507 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.01 -33.89 57.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 75.13 109.73 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -57.56 -51.82 67.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 73.31 110.255 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.2 ptm85 -66.91 -36.33 82.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -0.888 . . . . 73.14 110.46 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.58 -42.57 86.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.902 . . . . 42.34 110.4 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.84 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.31 -33.86 47.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.366 -0.833 . . . . 42.13 110.426 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 1.7 t -56.49 -50.16 72.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 75.13 110.339 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.3 ptt? -69.86 -30.82 68.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 42.33 110.006 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 113' ' ' LEU . 55.9 t -74.87 -37.32 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 70.44 110.751 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.619 ' HB2' HD12 ' A' ' 36' ' ' LEU . 22.3 pt-20 -80.0 -19.39 47.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 71.21 110.674 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 7.3 pttp -103.46 -15.98 15.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.089 -1.007 . . . . 75.33 110.382 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -49.04 115.55 1.33 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.167 -0.958 . . . . 74.45 110.29 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.9 ptpt -61.3 -27.39 68.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 74.1 110.263 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.14 -43.02 79.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 72.52 109.969 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.563 HG13 HD21 ' A' ' 113' ' ' LEU . 41.4 mm -76.29 -37.87 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.892 . . . . 60.32 110.347 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.95 -35.33 58.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.063 -1.023 . . . . 73.44 109.808 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 22.3 m -61.98 -36.67 82.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 73.35 109.562 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.7 mt -73.27 -39.05 65.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.358 -0.839 . . . . 74.45 109.651 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -0.82 57.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 63.5 110.265 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.6 mt-30 53.11 32.63 13.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 73.11 110.072 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 70.14 110.228 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.979 -0.749 . . . . 73.24 108.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 15' ' ' GLU . 14.6 mt -98.97 146.22 26.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 74.04 111.169 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -120.1 129.36 54.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.715 -0.616 . . . . 75.42 109.759 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.84 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.65 143.3 50.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 71.24 110.382 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.7 p90 -147.5 161.22 41.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -0.828 . . . . 72.22 109.903 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.549 -1.421 . . . . 73.2 109.549 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.428 HD12 ' HA3' ' A' ' 40' ' ' GLY . 16.5 mm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.508 0.67 . . . . 74.32 110.406 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 55' ' ' VAL . 7.7 p -96.3 140.84 16.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.504 -0.748 . . . . 75.15 110.334 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.59 149.39 40.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 75.42 110.391 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.4 p -109.56 143.3 39.44 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.321 -0.862 . . . . 62.13 109.992 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -115.89 136.18 53.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 75.33 110.393 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 61.22 109.9 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.146 0.498 . . . . 73.3 110.048 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.501 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 51.1 m -88.54 134.66 33.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 74.01 110.442 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -108.56 149.25 29.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.871 . . . . 73.44 110.225 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.08 141.71 48.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 74.3 110.489 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 86' ' ' GLU . 57.2 m-85 -124.19 120.04 31.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 73.21 110.008 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.433 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 4.0 ttm -133.16 134.38 44.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 74.25 110.172 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -140.9 145.27 35.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 73.13 110.609 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.65 ' CE2' HG11 ' A' ' 83' ' ' VAL . 3.4 p90 -156.92 161.48 39.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 63.13 109.938 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.662 ' ND1' HD23 ' A' ' 82' ' ' LEU . 5.2 m-70 -100.7 159.41 15.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.096 -1.002 . . . . 71.43 110.45 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 38' ' ' ALA . 60.5 t -123.68 130.69 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.383 -0.823 . . . . 44.4 109.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -106.63 118.76 37.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 63.43 110.848 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 p -112.14 174.29 5.95 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.333 -0.854 . . . . 63.22 109.486 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -79.98 -18.34 50.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.134 -0.979 . . . . 62.12 109.538 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.07 -28.07 15.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 72.11 110.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -179.05 -173.62 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 75.53 110.754 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.504 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 43.1 mt -115.12 145.07 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.82 . . . . 63.04 109.962 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.44 157.27 42.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 60.45 110.637 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 83' ' ' VAL . 3.0 tm? -112.96 128.63 56.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 62.55 109.236 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 82' ' ' LEU . 74.0 t -115.87 126.56 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 64.43 111.33 -179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.5 t-80 -129.18 139.03 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.088 -0.708 . . . . 73.31 109.088 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.719 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.5 pp -148.25 153.67 39.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.919 -1.113 . . . . 73.25 111.178 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.592 ' HG3' ' CE2' ' A' ' 69' ' ' TYR . 5.2 tt0 -124.51 135.15 52.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.545 -0.722 . . . . 44.52 109.435 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -124.68 153.83 41.71 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.975 -1.078 . . . . 54.52 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.576 ' CD ' HG21 ' A' ' 99' ' ' ILE . 1.1 ptmm? -131.22 144.08 51.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.478 -0.764 . . . . 75.35 109.703 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.501 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 75.43 111.061 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HB3' ' C ' ' A' ' 88' ' ' LYS . 50.4 Cg_exo . . . . . 0 N--CA 1.483 0.857 0 N-CA-C 110.432 -0.641 . . . . 71.33 110.432 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.16 157.54 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.276 -0.89 . . . . 73.12 110.016 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.559 ' HD2' HD13 ' A' ' 85' ' ' LEU . 75.4 m-85 -88.54 136.87 32.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 74.34 110.389 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.576 HG21 ' CD ' ' A' ' 88' ' ' LYS . 4.0 pt -117.77 -12.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 74.13 109.974 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 34.0 m120 -147.62 128.28 14.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 70.24 110.14 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.734 ' HB2' HD12 ' A' ' 114' ' ' ILE . 1.8 tpt -149.88 115.21 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.339 -0.851 . . . . 55.4 109.803 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.9 p90 -147.53 151.25 36.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 75.44 110.316 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 83' ' ' VAL . 21.9 t -119.4 148.35 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 71.35 110.223 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.33 123.0 40.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 62.04 110.358 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.46 ' HB ' ' HB3' ' A' ' 108' ' ' GLU . 36.3 t -104.84 129.96 23.98 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 70.55 109.963 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.0 Cg_exo -63.11 126.79 18.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.779 1.41 . . . . 63.51 110.27 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.66 45.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.831 -1.308 . . . . 73.44 109.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -118.39 164.82 14.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 61.05 110.192 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -76.66 142.15 40.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.92 . . . . 75.21 110.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -77.21 140.62 40.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 62.44 110.738 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -121.08 127.36 51.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.804 . . . . 73.41 109.693 179.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 29.2 p90 -77.21 141.8 39.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.166 -0.959 . . . . 74.31 110.604 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.574 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -95.13 -35.82 11.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.368 -0.832 . . . . 74.15 110.184 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.734 HD12 ' HB2' ' A' ' 101' ' ' MET . 52.2 mt -127.04 -42.98 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 60.14 110.13 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 9.4 ttmt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 62.33 110.235 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.264 0.554 . . . . 75.51 110.13 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -54.44 -44.34 72.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.173 -0.954 . . . . 73.21 109.98 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.44 -30.81 67.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 74.51 110.035 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 4.0 mp -61.79 -41.93 98.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.925 . . . . 74.21 110.09 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.542 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.79 -33.59 58.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 74.04 109.663 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -54.37 -52.05 62.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.353 -0.842 . . . . 75.05 110.052 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 2.8 ptm180 -66.85 -31.43 72.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.945 . . . . 75.41 109.79 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.84 -44.09 90.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 74.11 109.475 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.95 -35.05 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.364 -0.835 . . . . 63.01 109.291 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.5 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -52.68 -49.33 65.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.338 -0.851 . . . . 63.12 109.699 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.559 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptp -70.78 -30.95 67.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.238 -0.914 . . . . 71.12 109.353 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ALA . 51.5 t -71.48 -41.14 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.481 -0.762 . . . . 71.21 110.458 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.771 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.78 -25.19 53.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.9 . . . . 74.15 110.229 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -97.37 -18.57 19.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 63.41 110.199 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 6.5 t-20 -48.45 123.44 6.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.183 -0.948 . . . . 73.34 109.897 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -62.08 -37.91 86.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 65.02 110.591 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 3.5 m-20 -61.14 -45.35 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 65.33 110.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.426 ' CG1' HD11 ' A' ' 113' ' ' LEU . 50.2 mm -68.92 -35.58 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 73.24 109.884 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -50.32 -39.23 45.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 61.31 109.535 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 m -67.4 -36.18 80.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.432 -0.793 . . . . 73.35 109.611 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 38.5 mt -73.85 -40.41 63.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 64.33 109.801 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -86.38 -8.3 57.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 53.33 110.252 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 23.4 mt-30 48.37 27.48 1.38 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 62.2 109.647 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.774 . . . . 62.55 110.422 -179.692 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.298 0.571 . . . . 65.04 109.978 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD22 ' OG ' ' A' ' 76' ' ' SER . 72.7 mt -109.69 146.39 34.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 71.44 110.498 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 137.16 51.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.369 -0.832 . . . . 75.31 109.971 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.666 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -129.58 163.2 26.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 64.11 110.4 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 11.0 p90 -160.21 148.09 16.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.223 -0.923 . . . . 73.3 110.34 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.801 -1.32 . . . . 73.25 109.801 -179.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 54' ' ' ILE . 14.4 mm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.695 -0.483 . . . . 44.44 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.9 143.94 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.208 -0.933 . . . . 65.2 110.594 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.461 ' HB3' ' CE ' ' A' ' 70' ' ' MET . 0.5 OUTLIER -129.46 150.6 50.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.359 -0.838 . . . . 71.41 110.217 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 71.8 p -101.43 147.65 26.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 73.41 110.217 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.25 134.39 55.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 61.13 110.375 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 70.54 110.047 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.234 0.54 . . . . 75.11 110.123 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 7.5 m -84.1 130.36 34.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 73.14 110.317 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.55 143.41 39.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.198 -0.939 . . . . 62.45 110.13 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 57' ' ' THR . 21.8 m-70 -117.47 145.9 43.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 74.23 110.318 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 12.3 m-85 -121.37 131.39 54.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 54.43 109.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 56' ' ' SER . 3.2 ttm -134.46 128.25 33.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.125 -0.985 . . . . 75.23 110.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 15.2 ptm180 -133.45 142.19 48.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 72.22 110.246 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -154.76 151.46 28.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 75.41 109.992 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 73' ' ' HIS . 2.1 m-70 -89.06 150.51 22.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.93 . . . . 73.44 110.375 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 40.3 t -124.12 130.68 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 74.4 109.89 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.1 120.21 40.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 72.44 110.416 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.891 ' OG ' HD22 ' A' ' 36' ' ' LEU . 44.5 m -113.19 165.54 12.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.336 -0.852 . . . . 44.12 109.953 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -70.0 -17.85 63.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.35 110.138 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 2.3 mttm -96.88 -25.56 15.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 75.02 110.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 1.8 ttmt 177.61 -167.65 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.975 . . . . 72.51 110.499 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.72 144.34 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.402 -0.811 . . . . 73.31 109.301 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.61 155.98 46.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.041 -1.037 . . . . 54.44 111.097 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.5 tm? -113.24 125.61 54.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.517 -0.739 . . . . 63.32 109.134 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 HG22 ' A' ' 103' ' ' VAL . 27.9 t -112.93 133.36 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.92 . . . . 74.24 111.421 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.0 t60 -128.7 130.43 47.14 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.039 -0.726 . . . . 64.24 109.039 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.646 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -137.25 148.58 46.55 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 74.25 111.106 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -119.79 134.87 55.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 63.15 109.449 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -129.33 151.34 50.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 64.24 110.895 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.636 ' HG2' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -128.81 144.51 51.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 75.03 109.603 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.109 -0.995 . . . . 71.22 110.702 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.0 Cg_endo . . . . . 0 N--CA 1.484 0.965 0 N-CA-C 110.427 -0.644 . . . . 72.21 110.427 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 19.0 m-20 -132.71 157.74 44.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.872 . . . . 61.31 110.322 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.734 ' C ' HD13 ' A' ' 99' ' ' ILE . 62.5 m-85 -103.62 134.47 46.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 74.13 109.785 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -116.3 -24.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 72.41 109.92 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -134.36 128.94 34.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.201 -0.937 . . . . 63.22 110.212 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.429 ' HE1' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.56 118.07 6.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 62.24 110.174 179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 12.9 p90 -147.36 157.82 43.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.959 . . . . 74.31 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.732 HG22 HG13 ' A' ' 83' ' ' VAL . 54.8 t -129.07 151.21 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.199 -0.938 . . . . 62.11 110.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 110' ' ' ARG . 3.5 m-20 -101.47 115.16 29.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 72.1 110.26 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.04 117.43 67.16 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 71.44 109.727 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -59.33 126.37 20.63 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.761 1.4 . . . . 72.31 110.811 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.14 -20.13 14.59 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.337 -1.105 . . . . 34.3 110.337 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -118.4 166.04 13.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.293 . . . . 65.21 110.581 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -69.89 151.05 46.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.373 -0.829 . . . . 72.21 110.581 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -74.2 141.28 45.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 71.12 110.128 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 33.6 t80 -117.07 133.2 56.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 73.14 110.192 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -89.76 143.95 26.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 73.12 110.429 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.426 HD11 ' CG1' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.54 -39.29 7.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 64.54 109.975 179.672 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 99' ' ' ILE . 48.1 mt -119.18 -39.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 74.45 109.965 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.9 tttm . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 71.11 110.266 -179.895 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.264 0.554 . . . . 65.12 110.064 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -66.85 -34.72 78.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 54.31 109.992 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -69.75 -31.34 69.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.852 . . . . 72.33 110.102 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -62.04 -41.57 98.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.285 -0.884 . . . . 53.43 110.127 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.17 -37.0 61.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 74.13 109.658 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 11' ' ' VAL . 53.0 m-20 -56.16 -51.79 66.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 74.34 110.46 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 16.8 ptm180 -60.46 -37.66 81.72 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 71.23 110.243 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.56 -43.81 72.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.16 -0.962 . . . . 75.25 109.993 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.858 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -69.01 -31.61 51.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.359 -0.838 . . . . 73.0 110.08 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 35.1 m -59.8 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.855 . . . . 73.52 110.416 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 11.4 ptt? -72.03 -30.59 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.162 -0.961 . . . . 71.15 109.988 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.4 t -75.34 -41.44 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.28 -0.887 . . . . 73.02 110.797 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -75.09 -22.0 58.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.232 -0.918 . . . . 74.43 110.701 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -98.7 -15.88 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 63.4 110.453 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 31.8 t-20 -49.59 123.11 7.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 72.42 110.251 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 6.1 pttt -60.97 -32.86 72.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 62.02 110.202 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 3.3 m-20 -67.75 -42.48 81.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 72.33 110.584 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.82 -34.4 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.229 -0.919 . . . . 64.14 110.33 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 ttm180 -55.79 -37.41 68.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.878 . . . . 61.02 110.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -63.73 -40.32 96.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 64.53 109.904 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 111' ' ' TYR . 12.2 mt -73.07 -44.7 60.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 75.13 109.832 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -86.38 0.88 53.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.44 -0.788 . . . . 73.42 110.146 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CD ' ' A' ' 78' ' ' LYS . 43.5 mt-30 56.46 31.34 18.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 71.34 109.745 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' ' 36' ' ' LEU . 37.1 t . . . . . 0 N--CA 1.486 1.335 0 O-C-N 121.335 -0.853 . . . . 31.31 110.295 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.341 -0.614 . . . . 74.43 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD11 ' SG ' ' A' ' 26' ' ' CYS . 20.1 mt -102.32 145.11 29.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 72.11 110.199 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 129.69 45.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.295 -0.878 . . . . 53.34 110.555 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 1.005 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -119.14 163.33 17.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.389 -0.819 . . . . 43.51 109.275 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -161.38 141.28 10.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.885 -1.134 . . . . 72.22 111.175 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.061 -1.616 . . . . 40.22 109.061 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.563 HG22 ' HE1' ' A' ' 70' ' ' MET . 48.3 mm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.289 0.566 . . . . 55.34 110.289 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.02 150.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.415 -0.803 . . . . 73.41 110.594 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -115.99 147.59 41.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.396 -0.815 . . . . 65.4 110.004 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.6 147.22 25.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.359 -0.838 . . . . 54.24 110.241 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 3.4 ptmt -136.63 128.71 29.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.898 . . . . 72.43 110.577 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 70.32 109.65 179.6 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.21 0.529 . . . . 74.32 110.212 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 22.1 m -91.8 137.07 32.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 61.53 110.543 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -113.18 147.42 37.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 61.35 109.705 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 10.3 t-80 -123.33 136.92 54.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.104 -0.998 . . . . 73.23 110.827 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 73.5 m-85 -125.67 121.74 34.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.444 -0.785 . . . . 74.44 109.939 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HE1' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -139.75 144.85 37.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 64.52 110.467 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -146.12 149.04 33.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -0.911 . . . . 74.11 110.142 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 11.5 p90 -159.31 152.08 21.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.286 -0.884 . . . . 71.24 110.205 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 1.7 m-70 -88.59 155.78 19.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 75.14 110.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 38' ' ' ALA . 2.7 t -125.85 131.19 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 51.23 109.984 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -109.33 117.93 35.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.94 . . . . 73.21 110.338 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.626 ' HB2' HD22 ' A' ' 36' ' ' LEU . 82.4 p -110.04 170.79 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.196 -0.94 . . . . 64.5 110.351 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -70.63 -13.37 62.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.318 -0.864 . . . . 72.41 110.137 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -103.35 -23.65 13.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 73.33 110.586 -179.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HD2' ' HG2' ' A' ' 106' ' ' PRO . 4.3 ttmt 175.44 -169.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 73.41 110.414 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.2 141.62 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 70.34 109.83 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.69 43.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 75.41 110.581 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 HD21 ' CE1' ' A' ' 84' ' ' HIS . 20.6 tp -113.37 129.84 56.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 75.14 109.431 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 103' ' ' VAL . 58.5 t -110.45 133.35 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 62.34 111.067 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.595 ' CE1' HD21 ' A' ' 82' ' ' LEU . 6.2 m80 -129.2 120.38 25.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 75.44 109.344 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.629 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 pp -130.67 152.03 50.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.035 -1.04 . . . . 72.44 110.996 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -127.92 123.35 34.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.455 -0.778 . . . . 71.24 109.468 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.67 150.8 42.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.027 -1.045 . . . . 60.44 111.266 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.74 145.28 48.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.691 -0.631 . . . . 72.43 109.357 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 15.1 pt-20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.07 -1.019 . . . . 72.04 110.236 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.482 0.846 0 N-CA-C 110.044 -0.791 . . . . 74.23 110.044 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 137.84 51.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 42.33 110.322 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 85' ' ' LEU . 77.0 m-85 -83.16 138.66 33.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 63.53 109.814 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.446 HD13 ' HG2' ' A' ' 88' ' ' LYS . 4.8 pt -122.92 -17.28 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.086 -1.009 . . . . 71.45 110.519 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -153.53 129.26 10.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.942 . . . . 75.33 110.117 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.622 ' HE3' ' HB3' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.22 123.79 9.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 62.53 110.197 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 84' ' ' HIS . 34.8 p90 -147.41 154.5 40.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -0.922 . . . . 74.3 110.466 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 83' ' ' VAL . 93.3 t -123.52 147.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 62.53 110.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.16 115.15 29.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.173 -0.955 . . . . 64.45 110.167 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.63 129.24 27.13 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.878 . . . . 71.42 110.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 19.6 Cg_endo -64.39 126.15 16.41 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.892 1.469 . . . . 63.21 110.208 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.43 -18.11 20.58 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.087 -1.205 . . . . 61.54 110.087 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.437 ' OE2' HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -118.77 170.07 9.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.244 . . . . 70.1 110.565 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -83.42 143.27 30.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 73.14 110.208 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.6 ptt180 -66.73 135.9 54.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 62.53 110.459 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.701 ' CD2' HD11 ' A' ' 23' ' ' LEU . 3.1 t80 -107.15 132.22 53.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.889 . . . . 60.05 109.996 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 18.9 p90 -87.2 131.18 34.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -0.896 . . . . 63.14 110.429 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.523 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -82.87 -41.24 19.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 42.33 109.682 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 65.4 mt -111.79 -82.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.805 . . . . 72.11 109.977 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 1.3 ttpt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 35.15 110.22 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 4.7 p-10 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.233 0.54 . . . . 64.13 110.151 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.428 HG22 ' ND2' ' A' ' 8' ' ' ASN . 96.6 m -58.11 -49.68 76.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 55.02 109.962 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.01 -30.52 35.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 62.04 109.908 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -41.93 99.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 64.32 110.023 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.57 -33.48 58.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.284 -0.885 . . . . 75.13 109.763 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 4' ' ' THR . 12.3 m-80 -54.86 -45.93 74.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 73.31 110.115 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 12.5 ptm180 -74.12 -33.61 63.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 73.14 110.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.55 -43.52 72.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 42.34 109.832 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.943 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.23 -33.86 66.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.188 -0.945 . . . . 42.13 109.956 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.5 t -65.79 -43.65 88.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 75.13 110.403 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.8 ptp -70.31 -31.72 69.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 42.33 110.189 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 13' ' ' MET . 27.3 t -75.22 -47.12 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.192 -0.942 . . . . 70.44 110.613 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.783 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.6 pp20? -62.47 -27.22 68.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.22 -0.925 . . . . 71.21 110.332 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -94.26 -17.02 23.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.093 -1.004 . . . . 75.33 110.041 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -48.84 115.72 1.37 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.857 . . . . 74.45 110.243 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -58.8 -29.38 66.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.896 . . . . 74.1 109.945 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -67.88 -48.48 65.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 72.52 109.911 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.433 HD11 ' CD1' ' A' ' 111' ' ' TYR . 22.7 mm -70.31 -37.76 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 60.32 109.829 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' GLN . 16.5 ttm180 -51.12 -35.43 35.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 73.44 109.814 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -61.65 -40.98 96.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 73.35 109.965 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.54 -35.61 65.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.311 -0.868 . . . . 74.45 109.812 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -95.51 0.99 53.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.559 -0.713 . . . . 63.5 110.925 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . 45.7 mt-30 51.46 36.02 15.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 73.11 109.534 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . 10.0 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.388 -0.82 . . . . 70.14 110.439 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.36 0.6 . . . . 73.24 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.3 mt -108.41 146.46 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.871 . . . . 74.04 110.34 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -116.29 132.61 56.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 75.42 110.264 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.943 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -142.17 152.36 43.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 71.24 110.158 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.74 168.93 25.93 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 72.22 110.303 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.819 -1.312 . . . . 73.2 109.819 -179.694 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 54' ' ' ILE . 20.8 mm . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.402 -0.592 . . . . 74.32 109.402 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.0 p -95.26 145.45 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.901 -1.124 . . . . 75.15 110.844 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.61 150.3 51.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.75 -0.594 . . . . 75.42 110.04 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 16.6 p -110.67 147.78 33.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.855 . . . . 62.13 110.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 2.0 ptmt -129.35 131.78 46.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.906 . . . . 75.33 110.297 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.374 -0.829 . . . . 61.22 110.132 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HG2' ' HE2' ' A' ' 88' ' ' LYS . 2.2 ttp180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.313 0.578 . . . . 73.3 110.207 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.51 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 99.2 m -76.55 134.86 39.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 74.01 110.245 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.6 m170 -109.38 147.95 31.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.295 -0.878 . . . . 73.44 110.095 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 57' ' ' THR . 11.8 m-70 -123.67 136.99 54.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 74.3 110.447 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 29.9 m-85 -123.35 124.61 43.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.899 . . . . 73.21 110.02 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 tpp -143.65 145.42 32.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.892 . . . . 74.25 110.342 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -150.34 152.11 33.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 73.13 110.252 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 2.5 p90 -153.94 152.94 31.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.264 -0.898 . . . . 63.13 110.104 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.68 ' CE1' HD11 ' A' ' 82' ' ' LEU . 10.9 m-70 -93.04 158.67 15.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 71.43 110.505 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 38' ' ' ALA . 30.6 t -128.45 130.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 44.4 109.752 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -104.47 123.62 47.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 63.43 110.684 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.449 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 18.8 t -117.01 168.94 9.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.431 -0.793 . . . . 63.22 109.914 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.88 -13.58 60.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 62.12 110.429 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.87 -28.21 12.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 72.11 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 24' ' ' LEU . 2.6 ptpt -178.22 -175.23 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.145 -0.972 . . . . 75.53 110.312 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 8.6 mt -114.75 143.83 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 63.04 110.046 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.93 156.09 46.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 60.45 110.662 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.68 HD11 ' CE1' ' A' ' 73' ' ' HIS . 1.4 tt -119.11 125.35 49.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.444 -0.785 . . . . 62.55 109.713 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 93.8 t -111.7 133.68 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.351 -0.843 . . . . 64.43 111.159 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 71' ' ' ARG . 2.8 t-80 -130.64 128.49 41.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.534 -0.728 . . . . 73.31 109.626 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.91 153.09 48.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 73.25 110.934 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.42 130.21 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -0.788 . . . . 44.52 109.753 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -127.36 142.1 51.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 54.52 110.581 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HE2' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -129.79 144.61 51.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 75.35 110.535 -179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.87 . . . . 75.43 109.783 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.463 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 24.7 Cg_exo . . . . . 0 N--CA 1.484 0.969 0 N-CA-C 110.07 -0.781 . . . . 71.33 110.07 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.22 133.93 54.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 73.12 110.491 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 85' ' ' LEU . 26.4 m-85 -60.65 130.32 45.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.355 -0.84 . . . . 74.34 110.223 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 pt -118.6 -14.02 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 74.13 110.075 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -154.78 129.7 9.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.31 -0.869 . . . . 70.24 109.853 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.874 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -148.53 121.13 8.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 55.4 110.623 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 53.5 p90 -147.43 152.47 38.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.23 -0.919 . . . . 75.44 110.376 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.8 p -119.22 148.04 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 71.35 110.029 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -112.1 124.94 53.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 62.04 110.372 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.11 126.93 28.22 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 70.55 109.892 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' CD ' ' O ' ' A' ' 80' ' ' ILE . 38.9 Cg_exo -55.78 126.46 22.52 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.883 1.465 . . . . 63.51 110.552 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.08 -19.98 18.86 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.189 -1.164 . . . . 73.44 110.189 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 170.0 9.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.954 -1.321 . . . . 61.05 110.713 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -81.34 149.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.88 . . . . 75.21 110.103 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 16.4 ptp180 -71.24 143.91 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 62.44 110.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 15.7 t80 -111.47 132.97 54.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.249 -0.907 . . . . 73.41 110.259 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.5 p90 -84.3 129.81 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -0.913 . . . . 74.31 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -88.17 -33.95 18.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -0.906 . . . . 74.15 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 101' ' ' MET . 89.7 mt -111.69 -52.77 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 60.14 110.135 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 62.33 110.273 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.455 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 2.1 p30 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.222 0.534 . . . . 73.24 110.073 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 20.9 m -68.74 -34.07 74.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.882 . . . . 72.24 109.845 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.44 -37.59 83.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 73.31 110.04 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -42.28 76.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 74.24 110.165 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.38 -33.23 58.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.291 -0.881 . . . . 75.24 109.922 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.28 -49.75 75.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 72.31 110.678 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -68.21 -33.42 74.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.136 -0.978 . . . . 74.21 110.588 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.12 -42.27 76.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.165 -0.959 . . . . 41.45 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.59 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.62 -31.2 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 73.31 109.977 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -53.89 -48.63 69.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.257 -0.902 . . . . 75.13 110.062 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.1 ptm -71.71 -30.6 65.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 50.32 109.794 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 13' ' ' MET . 20.1 t -72.49 -39.54 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.432 -0.793 . . . . 54.13 110.87 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -80.45 -20.76 43.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.168 -0.957 . . . . 74.33 110.772 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -96.62 -15.72 21.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.086 -1.009 . . . . 74.41 110.525 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.672 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.9 t30 -47.02 124.23 6.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.198 -0.939 . . . . 71.34 110.248 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.5 mmtm -66.04 -35.34 80.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.16 -0.962 . . . . 64.44 110.145 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -66.73 -45.26 79.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.244 -0.91 . . . . 74.44 110.0 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 50.4 mm -67.16 -32.54 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 72.32 110.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -57.58 -33.19 67.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.225 -0.922 . . . . 73.45 109.81 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.542 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -64.95 -40.85 95.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.323 -0.861 . . . . 72.15 109.842 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . 38.7 mt -73.5 -37.11 65.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 74.25 109.428 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' SG ' ' A' ' 26' ' ' CYS . 14.3 tp -84.39 -0.96 54.67 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 72.52 110.264 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 50.95 31.5 6.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 73.32 110.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.788 ' SG ' HD23 ' A' ' 24' ' ' LEU . 18.5 m . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 65.23 110.401 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.293 0.568 . . . . 54.03 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 26' ' ' CYS . 16.6 mt -107.35 146.52 31.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 74.1 110.555 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 140.78 51.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.378 -0.826 . . . . 72.1 110.245 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -130.09 164.22 24.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 70.45 110.144 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 8.6 p90 -156.59 165.71 35.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.253 -0.904 . . . . 63.44 110.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.641 -1.383 . . . . 72.34 109.641 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.2 mm . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.281 0.563 . . . . 64.12 110.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.2 t -96.58 139.17 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.857 . . . . 70.11 110.09 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -123.49 149.32 45.3 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.268 -0.895 . . . . 73.05 110.248 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 43.5 p -107.38 139.22 42.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.296 -0.878 . . . . 64.22 110.198 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -126.13 127.02 45.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 73.14 110.202 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 75.22 109.874 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.229 0.538 . . . . 75.34 110.03 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 58' ' ' LYS . 70.8 m -76.5 131.61 39.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 61.15 110.585 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.3 m170 -105.93 142.82 34.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.325 -0.859 . . . . 70.41 109.801 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.4 m-70 -116.83 137.21 52.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 73.42 110.452 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 18.5 m-85 -123.73 127.6 48.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 65.45 110.147 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.16 129.31 31.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 75.31 110.32 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.68 144.45 41.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -0.959 . . . . 74.25 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.2 p90 -153.33 159.67 42.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 65.42 109.865 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.555 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 7.8 m-70 -98.01 157.52 16.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 65.4 110.759 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 38' ' ' ALA . 78.6 t -123.92 140.43 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.471 -0.768 . . . . 72.33 109.488 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.96 126.99 53.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.031 -1.043 . . . . 74.13 110.777 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.455 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.93 177.08 4.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 65.14 109.752 179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -79.72 -13.48 59.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 75.24 110.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -24.24 11.95 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.113 -0.992 . . . . 64.21 110.676 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -175.84 -160.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.03 -1.044 . . . . 74.42 110.552 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 80' ' ' ILE . 5.5 mt -129.91 133.59 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 74.42 109.95 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.92 157.54 25.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.121 -0.987 . . . . 75.24 110.507 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.658 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -112.92 136.73 52.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 71.23 109.513 179.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 73.2 t -110.94 135.48 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.193 -0.942 . . . . 72.23 110.735 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' HD22 ' A' ' 82' ' ' LEU . 10.6 m-70 -129.38 117.77 21.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.391 -0.818 . . . . 73.4 109.909 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.36 152.62 48.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 60.23 110.252 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 tt0 -131.49 132.04 43.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 73.22 110.258 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.0 147.68 50.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 75.21 109.899 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 99' ' ' ILE . 1.5 ptmm? -134.29 144.23 48.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.153 -0.967 . . . . 61.43 110.574 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.444 -0.785 . . . . 61.05 110.117 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 110.434 -0.641 . . . . 65.41 110.434 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -111.54 128.77 56.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 63.32 109.87 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 29.4 m-85 -58.66 123.88 17.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.98 . . . . 65.34 110.021 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.786 HG21 ' HD3' ' A' ' 88' ' ' LYS . 6.3 pt -111.93 -14.98 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 64.55 110.159 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 71.2 m-80 -149.05 128.9 13.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 70.23 109.931 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.73 ' CB ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -149.62 119.66 7.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 73.33 110.608 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 49.7 p90 -147.52 163.87 35.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 72.52 109.952 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 82' ' ' LEU . 80.7 t -127.1 151.61 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 73.54 110.475 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -109.55 118.3 36.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.483 -0.761 . . . . 72.23 110.126 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.73 127.68 26.56 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 74.22 110.179 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.37 131.16 18.49 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.883 1.465 . . . . 73.22 110.534 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.84 -19.57 28.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.035 -1.226 . . . . 70.33 110.035 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -117.14 168.46 10.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.034 -1.274 . . . . 53.32 110.453 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.4 135.05 36.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 75.41 110.076 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -55.46 133.73 50.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.91 . . . . 72.51 110.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.534 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.2 t80 -119.97 111.57 18.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 73.04 110.096 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 43.4 p90 -75.94 144.44 41.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.111 -0.993 . . . . 73.25 110.195 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.672 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -94.4 -48.23 6.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.942 . . . . 64.51 110.523 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.73 HD12 ' CB ' ' A' ' 101' ' ' MET . 91.9 mt -101.45 -73.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 74.45 110.299 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' CB ' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.127 -0.983 . . . . 72.1 110.211 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.29 0.567 . . . . 70.45 110.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -55.9 -46.83 78.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 72.21 110.238 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 37.5 mt-30 -60.92 -35.57 77.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.312 -0.867 . . . . 71.43 109.934 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.85 -46.11 71.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.399 -0.813 . . . . 72.31 109.89 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.637 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.41 -33.17 64.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.35 -0.844 . . . . 74.41 109.608 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' SER . 31.3 m-20 -53.61 -48.83 68.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 72.25 110.375 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.7 ptm180 -72.09 -33.35 67.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 75.41 110.351 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.37 -45.98 61.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 45.22 109.545 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' CE2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -71.21 -32.99 49.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.387 -0.821 . . . . 70.2 109.921 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 30.5 t -59.4 -50.64 73.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 73.2 110.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.1 ptp -65.23 -31.59 72.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 73.04 109.854 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.687 HG21 ' HE3' ' A' ' 101' ' ' MET . 40.9 t -74.06 -51.71 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 60.42 110.344 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.3 pt-20 -62.55 -21.46 65.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 65.44 110.117 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -102.22 -14.38 17.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 71.11 109.838 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 1.7 t30 -42.0 128.68 3.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.406 -0.809 . . . . 62.11 110.527 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -66.46 -45.05 81.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 74.23 109.764 179.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.16 92.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.739 -0.601 . . . . 71.1 110.359 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 48.2 mm -72.32 -32.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.932 . . . . 71.4 109.878 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 2.1 ttt-85 -51.14 -37.78 48.2 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.911 . . . . 73.04 109.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -29.51 67.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.402 -0.811 . . . . 71.21 109.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ILE . 51.3 mt -73.4 -45.14 56.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 73.33 109.454 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 81' ' ' ALA . 1.2 mm? -87.4 -9.73 53.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.448 -0.783 . . . . 74.14 110.0 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.3 mt-30 57.57 31.6 20.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.262 -0.899 . . . . 75.43 110.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 75.42 110.22 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.279 0.561 . . . . 74.1 110.082 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 15' ' ' GLU . 10.7 mt -110.09 147.25 33.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 74.3 110.859 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -114.88 134.72 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 64.14 110.307 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.841 ' CB ' HG22 ' A' ' 74' ' ' VAL . . . -140.08 160.21 40.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 71.24 110.232 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 8.0 p90 -150.81 171.68 16.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 73.21 110.245 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 109.735 -1.346 . . . . 72.4 109.735 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 54' ' ' ILE . 23.9 mm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.367 0.603 . . . . 53.52 110.432 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -114.76 149.73 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.338 -0.851 . . . . 71.22 109.937 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.6 144.43 50.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.244 -0.91 . . . . 61.31 110.385 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -103.5 141.93 35.15 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.257 -0.902 . . . . 65.44 110.368 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -131.39 125.99 34.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 74.42 110.182 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 65.01 110.182 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.196 0.522 . . . . 73.32 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 18.2 m -81.48 134.21 35.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.258 -0.901 . . . . 73.23 110.71 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.606 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.13 142.38 47.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.462 -0.774 . . . . 74.21 109.606 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 7.8 t-80 -128.53 138.83 52.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.081 -1.012 . . . . 62.42 110.75 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.08 126.14 46.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.437 -0.79 . . . . 54.4 109.503 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.48 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -137.19 135.12 37.01 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.011 -1.055 . . . . 73.44 110.682 -179.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' HD3' ' CE1' ' A' ' 84' ' ' HIS . 1.8 ptt180 -144.57 152.28 40.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.388 -0.82 . . . . 75.01 109.71 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.5 p90 -156.55 164.47 38.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.042 -1.036 . . . . 72.24 110.28 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.758 ' ND1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -104.99 147.81 27.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.85 . . . . 73.22 110.52 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.841 HG22 ' CB ' ' A' ' 38' ' ' ALA . 66.5 t -125.37 131.13 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 74.31 109.567 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.486 ' HG2' HG13 ' A' ' 80' ' ' ILE . 1.5 tt0 -108.53 132.53 53.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.114 -0.992 . . . . 70.3 110.824 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' HD23 ' A' ' 36' ' ' LEU . 1.5 m -116.49 171.71 7.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.327 -0.858 . . . . 74.32 109.813 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -73.92 -15.81 61.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.082 -1.011 . . . . 74.2 110.246 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -103.86 -29.44 10.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -0.95 . . . . 74.12 110.342 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 2.4 mtmt -170.67 -170.89 0.96 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.325 -0.859 . . . . 75.42 110.326 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.2 mp -125.86 143.38 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.88 . . . . 74.22 110.051 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -131.23 155.18 47.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 44.42 110.513 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 72' ' ' PHE . 15.2 tp -113.33 133.87 54.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 52.34 109.642 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 20.9 t -106.49 136.18 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.082 -1.011 . . . . 75.52 110.858 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.07 120.14 24.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.522 -0.737 . . . . 65.12 109.65 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.28 154.0 50.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.051 -1.031 . . . . 53.41 110.859 -179.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.686 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.32 136.04 49.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.433 -0.792 . . . . 62.25 109.721 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -129.55 133.17 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.059 -1.026 . . . . 53.24 110.501 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.606 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 10.2 ptmt -134.53 143.77 47.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 72.33 110.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 74.3 110.395 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 12.3 Cg_endo . . . . . 0 N--CA 1.48 0.678 0 N-CA-C 110.423 -0.645 . . . . 73.23 110.423 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.59 138.3 38.77 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.28 -0.887 . . . . 63.44 110.091 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -62.31 132.47 52.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.371 -0.83 . . . . 75.11 110.274 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.536 HG21 ' HD3' ' A' ' 88' ' ' LYS . 1.6 pt -118.41 -15.52 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.233 -0.917 . . . . 73.44 109.976 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 76.0 m-20 -150.78 131.15 13.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 75.44 109.797 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.687 ' HE3' HG21 ' A' ' 14' ' ' VAL . 1.8 tpt -148.54 118.84 7.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.133 -0.979 . . . . 71.31 110.672 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 15.0 p90 -148.6 157.6 43.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 72.52 110.134 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 80.9 t -121.6 155.38 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.197 -0.939 . . . . 75.43 110.214 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -123.99 121.26 34.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 65.14 110.463 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 108' ' ' GLU . 2.6 p -118.7 128.73 25.8 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 52.53 109.881 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.6 Cg_exo -62.73 130.89 31.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 123.872 1.459 . . . . 71.53 111.025 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.82 -17.08 33.13 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.426 -1.07 . . . . 73.02 110.426 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 105' ' ' VAL . 2.0 mm-40 -118.18 164.11 15.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.011 -1.288 . . . . 75.13 110.609 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 120.63 25.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.848 . . . . 70.03 110.168 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 2.5 ptm180 -55.44 139.84 42.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.237 -0.914 . . . . 74.33 110.024 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -117.13 132.96 56.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 74.01 110.145 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 21.7 p90 -80.94 137.9 36.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 72.53 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.518 ' CB ' ' HG3' ' A' ' 101' ' ' MET . 0.2 OUTLIER -90.86 -36.84 13.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 72.21 109.97 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 101' ' ' MET . 77.6 mt -123.32 -43.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.169 -0.957 . . . . 70.43 110.178 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.54 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 54.21 110.213 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.247 0.546 . . . . 75.51 109.997 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 8' ' ' ASN . 7.1 m -59.63 -51.76 68.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 73.21 109.918 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.462 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 23.1 mt-30 -52.66 -33.1 45.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 74.51 109.809 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.38 83.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 74.21 109.831 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.99 -33.39 57.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.36 -0.837 . . . . 74.04 109.66 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 8.8 m-80 -59.22 -47.91 83.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 75.05 110.643 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.6 ptm180 -69.26 -32.59 71.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.126 -0.984 . . . . 75.41 110.467 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.33 -41.83 69.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 74.11 110.019 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.046 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.0 -30.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.289 -0.882 . . . . 63.01 109.911 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.14 -49.27 78.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 63.12 110.252 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 16.8 ptt? -69.19 -31.21 69.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 71.12 109.825 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 101' ' ' MET . 37.3 t -72.53 -41.59 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.382 -0.823 . . . . 71.21 110.438 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' SER . 11.2 pt-20 -73.03 -19.96 61.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.164 -0.96 . . . . 74.15 110.393 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 15.8 ptmt -105.98 -14.09 15.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.122 -0.986 . . . . 63.41 109.838 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.6 t-20 -46.69 131.0 11.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.815 . . . . 73.34 110.523 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 34.1 mtpt -66.53 -44.88 81.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.28 -0.887 . . . . 65.02 110.044 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 23.6 m-20 -55.78 -44.07 77.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 65.33 110.14 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 111' ' ' TYR . 25.2 mm -73.72 -32.82 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.291 -0.88 . . . . 73.24 110.269 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.618 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -50.6 -32.11 17.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 61.31 109.91 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.618 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.1 m -68.91 -37.88 79.23 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.463 -0.773 . . . . 73.35 109.747 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 111' ' ' TYR . 9.8 mt -73.64 -41.7 62.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 64.33 110.119 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 36' ' ' LEU . 1.1 mt -83.71 -7.7 59.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 53.33 110.4 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.8 31.52 3.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 62.2 110.007 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 62.55 110.065 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.39 0.614 . . . . 65.04 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 76' ' ' SER . 11.6 mt -96.25 146.79 24.4 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.866 . . . . 71.44 110.196 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.44 137.18 54.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.566 -0.709 . . . . 75.31 110.551 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -124.73 161.55 26.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.467 -0.77 . . . . 64.11 109.885 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -160.31 162.79 33.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.965 . . . . 73.3 110.502 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.676 -1.37 . . . . 73.25 109.676 -179.85 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.823 HG21 ' CE ' ' A' ' 70' ' ' MET . 17.2 mm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.455 0.645 . . . . 44.44 110.452 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.75 152.98 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.469 -0.769 . . . . 65.2 109.709 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.543 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 3.9 p -129.93 147.37 51.68 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.058 -1.026 . . . . 71.41 110.621 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 65.1 p -99.98 133.79 43.84 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.457 -0.777 . . . . 73.41 109.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -118.45 124.41 47.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 61.13 110.42 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 70.54 109.626 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.502 ' NH1' ' HD2' ' A' ' 88' ' ' LYS . 8.7 ttm180 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.247 0.546 . . . . 75.11 110.121 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -96.4 140.15 31.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.255 -0.903 . . . . 73.14 110.764 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -113.55 148.96 35.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.421 -0.799 . . . . 62.45 109.571 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 t-160 -124.14 140.52 52.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.148 -0.97 . . . . 74.23 110.789 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 59' ' ' LYS . 95.8 m-85 -120.73 120.18 34.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.427 -0.795 . . . . 54.43 109.9 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.823 ' CE ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -135.47 142.78 45.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 75.23 110.368 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -149.97 148.24 28.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -0.869 . . . . 72.22 110.495 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 1.046 ' CE1' HG23 ' A' ' 11' ' ' VAL . 7.9 p90 -148.97 152.52 36.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.297 -0.877 . . . . 75.41 109.99 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' HD13 ' A' ' 82' ' ' LEU . 19.5 m80 -87.67 153.16 21.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 73.44 110.633 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 38' ' ' ALA . 59.7 t -123.77 132.01 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.45 -0.781 . . . . 74.4 109.668 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.36 119.18 34.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.085 -1.009 . . . . 72.44 110.633 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 36' ' ' LEU . 82.8 p -111.31 168.41 9.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.333 -0.855 . . . . 44.12 109.982 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -72.14 -13.94 61.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.905 . . . . 72.35 110.268 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -100.01 -28.65 12.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 75.02 110.512 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -175.69 -157.56 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.098 -1.001 . . . . 72.51 110.2 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 mt -135.31 144.6 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.394 -0.816 . . . . 73.31 109.928 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.51 157.73 45.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.167 -0.958 . . . . 54.44 110.745 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 12.1 tp -116.99 127.5 54.25 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 63.32 109.493 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 24.2 t -106.94 131.53 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.157 -0.964 . . . . 74.24 110.951 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -123.76 122.79 38.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.526 -0.734 . . . . 64.24 109.258 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.8 pp -134.2 149.7 51.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.993 -1.067 . . . . 74.25 111.167 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.33 134.33 52.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.586 -0.696 . . . . 63.15 109.247 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -116.01 152.26 33.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.961 -1.087 . . . . 64.24 110.724 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' ' NH1' ' A' ' 65' ' ' ARG . 22.5 ttpt -128.67 141.02 51.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.405 -0.809 . . . . 75.03 109.874 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 2.2 pp20? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 71.22 110.382 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.606 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 22.1 Cg_exo . . . . . 0 N--CA 1.482 0.846 0 N-CA-C 110.516 -0.609 . . . . 72.21 110.516 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.5 137.34 47.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 61.31 109.998 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.425 ' CE1' HD13 ' A' ' 85' ' ' LEU . 30.9 m-85 -60.66 135.6 57.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 74.13 110.291 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.1 pt -118.26 -14.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 72.41 109.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 26.4 m120 -156.84 129.79 7.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.422 -0.799 . . . . 63.22 109.738 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.638 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.24 124.41 10.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.165 -0.959 . . . . 62.24 110.534 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 p90 -147.41 150.89 35.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.359 -0.838 . . . . 74.31 109.997 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 14.5 p -119.4 144.46 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.997 . . . . 62.11 110.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.46 126.54 53.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.233 -0.917 . . . . 72.1 110.476 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -121.26 124.18 27.42 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.255 -0.903 . . . . 71.44 110.182 179.818 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.67 126.99 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.874 1.46 . . . . 72.31 110.323 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.99 -20.16 26.55 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.787 -1.325 . . . . 34.3 109.787 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 3.3 mt-10 -118.69 159.34 23.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.236 . . . . 65.21 110.2 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -79.26 146.35 33.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 72.21 109.932 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 23.0 ptt180 -62.67 138.14 58.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 71.12 110.452 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -109.44 133.36 53.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 73.14 110.065 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 115' ' ' LYS . 3.1 p90 -82.52 144.38 30.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.12 110.231 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD11 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -101.4 -28.62 12.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 64.54 110.102 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' LYS . 14.0 mt -125.02 -67.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.386 -0.821 . . . . 74.45 110.236 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.33 -0.856 . . . . 71.11 110.151 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.49 -1.444 . . . . 50.11 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -69.02 -28.78 66.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -1.127 . . . . 72.13 110.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.28 -45.74 87.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.948 . . . . 74.43 110.12 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.488 HG22 ' ND2' ' A' ' 8' ' ' ASN . 33.3 m -56.45 -50.35 71.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 51.4 110.057 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 58.6 mt-30 -56.25 -34.65 66.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.858 . . . . 33.5 109.881 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -46.31 71.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.294 -0.879 . . . . 73.32 109.848 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -35.03 58.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 71.01 109.932 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.488 ' ND2' HG22 ' A' ' 4' ' ' THR . 70.8 m-20 -56.62 -51.25 69.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 72.22 110.488 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH1' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -67.84 -31.27 70.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 74.52 110.447 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 13' ' ' MET . . . -69.3 -43.25 74.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 64.42 110.046 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.836 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -35.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.199 -0.938 . . . . 75.51 109.823 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.7 t -58.03 -51.68 68.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 62.34 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.543 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 25.4 ptm -64.59 -31.94 73.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.381 -0.824 . . . . 55.12 110.082 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 113' ' ' LEU . 37.6 t -75.37 -39.06 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.775 . . . . 61.3 111.338 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 12' ' ' SER . 15.6 pt-20 -78.23 -22.32 48.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.992 -1.068 . . . . 65.55 110.979 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -89.9 -15.93 31.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.923 -1.11 . . . . 75.21 109.821 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 36.0 t-20 -56.25 125.62 22.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 75.12 110.504 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -32.82 74.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 73.02 110.072 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 1.3 m-20 -59.52 -50.07 75.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.211 -0.931 . . . . 74.12 109.813 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -71.4 -32.54 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.237 -0.914 . . . . 72.54 109.578 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 24.5 ttp180 -53.24 -33.56 53.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.459 -0.775 . . . . 65.03 109.86 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -39.57 78.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 64.43 110.277 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HD1' ' A' ' 111' ' ' TYR . 12.4 mt -63.93 -45.45 89.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 71.23 109.991 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD12 ' CB ' ' A' ' 76' ' ' SER . 2.1 mm? -76.63 1.8 15.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 74.32 110.211 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 54.89 29.56 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 73.55 109.834 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' LEU . 4.6 m -58.56 -172.98 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.518 -0.739 . . . . 71.31 110.294 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -152.26 -169.74 3.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.241 -0.912 . . . . 62.14 110.308 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 2.1 m-20 175.68 94.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.403 -0.811 . . . . 73.34 110.126 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.79 176.67 20.5 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.669 -1.372 . . . . 63.12 109.669 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.425 ' H ' HG22 ' A' ' 30' ' ' ILE . 5.1 tt -74.17 -21.23 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -1.133 . . . . 75.4 110.113 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 t -85.02 -23.57 28.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.355 -0.84 . . . . 75.2 110.516 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.458 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -179.68 136.6 2.82 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.855 -1.298 . . . . 51.42 109.855 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HE2' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -119.58 145.58 46.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -1.073 . . . . 71.2 109.807 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -79.09 142.31 36.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.158 -0.964 . . . . 71.53 110.542 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 132.4 51.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.326 -0.859 . . . . 71.1 109.654 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 26' ' ' CYS . 15.4 mt -109.92 146.05 35.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.081 -1.012 . . . . 51.34 111.338 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 147.22 52.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.061 -0.718 . . . . 75.45 109.061 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.836 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -138.05 162.83 33.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.982 -1.074 . . . . 64.33 111.095 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -148.79 172.26 14.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.654 -0.654 . . . . 74.43 109.535 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.557 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -56.36 -116.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.18 -1.168 . . . . 73.13 110.18 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 43' ' ' ILE . 27.3 mt-10 -110.37 -137.83 0.37 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.245 . . . . 75.12 110.027 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.01 138.88 11.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 70.01 110.463 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -149.39 167.55 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.444 -0.785 . . . . 62.23 110.069 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 t -164.69 32.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.18 -0.95 . . . . 73.45 110.34 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 1.2 t30 -149.52 -156.83 0.76 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.313 -0.867 . . . . 74.34 110.294 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.73 143.98 32.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 70.33 110.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 55.13 -163.38 0.13 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 51.5 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.512 ' HA ' ' OD1' ' A' ' 51' ' ' ASN . 3.5 p90 -101.1 -5.13 26.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.371 -0.83 . . . . 74.03 110.12 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' TRP . 68.6 p -40.49 -39.39 1.01 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 54.31 110.68 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -171.72 94.09 0.15 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.159 -0.963 . . . . 70.54 110.361 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.512 ' OD1' ' HA ' ' A' ' 48' ' ' TRP . 3.3 p-10 -162.06 -170.2 2.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.333 -0.855 . . . . 74.0 110.057 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 123.3 69.4 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 71.03 110.19 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -68.03 160.12 49.99 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.974 1.513 . . . . 75.05 110.374 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.557 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 34.3 mm -80.98 136.52 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.826 . . . . 71.22 109.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.0 148.07 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.835 . . . . 74.12 110.381 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -127.74 151.43 49.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 71.22 110.081 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -114.61 145.14 42.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.332 -0.855 . . . . 65.1 110.649 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -136.7 127.33 27.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.925 . . . . 63.15 110.037 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 141.24 33.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 54.2 110.086 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -101.97 146.39 27.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.066 -1.021 . . . . 72.0 110.371 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 -168.46 2.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 61.24 110.278 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -63.29 -28.71 70.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 71.2 110.103 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -9.36 59.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 72.13 110.328 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.48 5.81 61.52 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.677 -1.369 . . . . 45.24 109.677 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 8.4 ttt180 -75.05 121.25 21.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 74.15 109.889 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -81.09 132.53 35.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 65.31 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -113.86 148.75 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 75.43 109.791 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 56' ' ' SER . 3.2 t-160 -117.49 142.92 46.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 65.2 110.393 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 41.2 m-85 -127.15 122.22 33.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -0.79 . . . . 52.3 109.808 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.24 130.35 46.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 73.11 110.468 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 ptt85 -129.96 140.46 50.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 74.45 110.014 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 1.3 p90 -150.92 169.5 21.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.293 -0.88 . . . . 74.54 110.002 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -111.43 155.62 22.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 74.31 110.522 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG22 ' CB ' ' A' ' 38' ' ' ALA . 41.5 t -124.11 139.8 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 73.11 109.671 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' HG12 ' A' ' 80' ' ' ILE . 3.3 tt0 -115.91 120.13 38.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.142 -0.974 . . . . 64.55 110.54 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.628 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.0 m -108.12 -178.27 3.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.364 -0.835 . . . . 63.13 109.854 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -13.5 59.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.93 . . . . 61.12 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -29.34 9.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.866 . . . . 74.11 110.41 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.88 -171.09 0.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.163 -0.961 . . . . 71.41 110.818 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.2 mp -116.3 141.66 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 74.45 109.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.39 157.44 27.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 54.14 110.457 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 103' ' ' VAL . 18.5 tp -113.16 128.85 56.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 64.52 109.661 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 103' ' ' VAL . 90.9 t -113.01 126.65 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 53.34 111.019 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 1.9 t-80 -124.04 130.93 53.38 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.082 -0.71 . . . . 74.41 109.082 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.8 pp -141.59 153.49 44.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.893 -1.129 . . . . 71.15 111.486 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 tt0 -123.05 135.48 54.44 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.257 -0.646 . . . . 71.42 109.257 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.33 154.05 48.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.998 -1.064 . . . . 74.35 110.915 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 97' ' ' ASP . 0.3 OUTLIER -134.55 144.51 48.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.53 -0.731 . . . . 73.43 109.77 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -85.75 139.86 30.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.149 -0.969 . . . . 71.05 110.211 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.403 ' HB2' ' OD1' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -109.87 150.46 28.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 74.14 110.662 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER 63.92 -79.64 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.534 -0.729 . . . . 64.03 110.915 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 21.1 tt0 168.95 124.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.03 -1.044 . . . . 71.31 110.11 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.6 t30 50.3 49.53 20.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.926 . . . . 64.1 110.662 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.86 -164.48 1.28 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 75.21 110.013 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -70.9 138.79 85.31 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.94 . . . . 65.22 110.23 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.67 146.84 89.51 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.054 1.555 . . . . 73.3 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.478 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . 80.7 m-20 -115.25 118.57 33.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 73.32 110.098 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE1' ' NH1' ' A' ' 9' ' ' ARG . 83.0 m-85 -80.01 136.06 36.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.906 . . . . 71.41 110.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -24.67 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.27 -0.893 . . . . 65.1 109.842 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.77 129.16 27.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 64.13 110.19 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.695 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -149.06 115.46 5.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 74.41 110.044 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 24.6 p90 -146.82 163.61 35.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -0.974 . . . . 73.34 110.164 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 82' ' ' LEU . 30.7 t -128.97 159.5 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.188 -0.945 . . . . 64.41 110.59 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -125.46 117.02 22.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 72.13 109.858 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.1 m -112.73 132.87 22.06 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.121 -0.987 . . . . 73.43 110.605 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 11.8 Cg_exo -65.45 131.63 28.65 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.065 1.561 . . . . 74.34 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.93 -19.05 32.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.797 -1.321 . . . . 61.43 109.797 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.01 168.95 9.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -1.184 . . . . 71.33 110.287 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -84.81 143.17 29.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 75.34 110.205 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.25 139.08 43.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 74.1 110.19 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.809 ' HD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.87 126.03 46.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 73.41 110.551 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.2 m-85 -86.55 143.52 27.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 72.25 110.025 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -102.47 -31.11 10.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.209 -0.932 . . . . 75.41 110.191 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 101' ' ' MET . 21.1 mt -121.57 -80.4 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.285 -0.884 . . . . 72.54 110.119 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.255 -0.903 . . . . 72.31 110.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.62 -1.392 . . . . 72.22 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -112.88 24.53 12.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.232 -1.157 . . . . 71.51 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.1 -34.75 68.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.949 . . . . 74.44 109.991 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 HG21 HH22 ' A' ' 50' ' ' ARG . 18.7 m -54.3 -48.28 71.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 70.33 110.221 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -33.14 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 72.44 110.134 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HB3' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -58.05 -40.95 82.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 61.34 110.026 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -34.3 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 73.32 109.897 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -58.75 -50.53 73.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.235 -0.915 . . . . 74.23 110.579 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 5.9 ptm85 -64.74 -39.02 92.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.146 -0.971 . . . . 74.02 110.354 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.76 -40.94 88.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.13 -0.981 . . . . 43.32 109.875 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.886 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -73.35 -36.53 49.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.085 -1.01 . . . . 43.21 110.092 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -53.04 -52.01 59.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 73.33 110.21 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.525 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptt? -68.49 -30.71 69.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.251 -0.905 . . . . 73.14 109.919 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG11 HG21 ' A' ' 83' ' ' VAL . 36.5 t -69.9 -49.16 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 75.33 110.404 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 12.5 pt-20 -66.64 -25.04 66.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 73.52 110.432 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -98.37 -16.94 19.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.086 -1.008 . . . . 72.22 109.958 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' ND2' ' HG ' ' A' ' 113' ' ' LEU . 5.1 t30 -45.17 122.72 3.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 73.03 110.002 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -63.75 -26.23 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 74.15 110.566 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 10.7 m-20 -69.11 -45.49 70.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.24 -0.913 . . . . 73.45 110.861 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.494 HD12 HG11 ' A' ' 103' ' ' VAL . 19.4 mm -73.3 -35.96 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.165 -0.959 . . . . 73.44 110.675 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -33.15 58.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.187 -0.945 . . . . 65.15 110.468 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -38.71 74.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.224 -0.922 . . . . 45.23 110.264 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 111' ' ' TYR . 41.2 mt -72.41 -48.14 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.239 -0.913 . . . . 72.04 109.734 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -76.43 -7.2 54.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.538 -0.726 . . . . 61.34 110.131 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 59.46 39.32 22.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 75.34 110.221 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.07 179.89 0.12 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.228 -0.92 . . . . 75.21 110.102 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -138.78 172.41 12.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 71.53 110.53 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 34.2 t0 -179.26 78.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.433 -0.792 . . . . 55.21 109.792 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.71 165.64 24.75 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.94 -1.264 . . . . 75.11 109.94 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 tp -60.91 -15.43 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -1.075 . . . . 73.44 109.886 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 31' ' ' THR . 5.2 t -87.06 -23.27 25.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 70.31 110.234 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.13 129.1 1.26 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.827 -1.309 . . . . 70.21 109.827 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.07 135.68 50.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -1.122 . . . . 61.41 109.869 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' CD ' ' HA ' ' A' ' 26' ' ' CYS . 26.4 tt0 -85.0 143.08 29.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.93 . . . . 75.4 110.762 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -130.03 126.67 38.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.429 -0.795 . . . . 75.53 109.209 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 26' ' ' CYS . 8.8 mt -99.74 146.6 26.37 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.142 -0.974 . . . . 63.23 110.893 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.57 143.98 49.87 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.667 -0.646 . . . . 75.01 109.978 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.83 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -139.04 164.69 29.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 61.24 110.312 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD2' HD11 ' A' ' 43' ' ' ILE . 9.0 p90 -153.41 172.35 17.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.309 -0.87 . . . . 74.5 109.982 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . -55.35 -155.26 0.01 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.247 -1.141 . . . . 52.33 110.247 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.815 ' O ' HG23 ' A' ' 43' ' ' ILE . 6.6 pt-20 -85.35 -136.88 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.979 -1.307 . . . . 41.23 110.241 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -38.71 108.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 63.12 110.948 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.815 HG23 ' O ' ' A' ' 41' ' ' GLU . 1.6 pt -139.38 -176.19 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 75.31 109.976 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -66.84 -11.22 54.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 74.41 110.227 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 4.0 t-20 56.95 101.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 64.05 110.364 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 168.92 -158.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.211 -0.931 . . . . 74.41 110.119 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -55.82 -163.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 71.02 109.845 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ARG . 79.0 m95 -44.46 -63.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.183 -0.948 . . . . 75.23 109.935 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 48' ' ' TRP . 26.7 p 42.54 -94.55 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 71.52 110.372 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 58.25 99.46 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.157 -0.964 . . . . 64.24 110.237 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -110.09 -37.79 5.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 64.44 110.166 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.3 143.72 26.59 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 74.23 110.131 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -73.4 159.87 45.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.036 1.546 . . . . 63.11 110.699 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 ' HA3' ' A' ' 40' ' ' GLY . 25.7 mm -83.31 132.68 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.429 -0.795 . . . . 60.21 109.98 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.29 150.67 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 70.0 110.419 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -129.28 150.47 50.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 61.15 110.151 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 74.8 p -111.36 143.21 42.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.248 -0.907 . . . . 72.43 110.381 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.1 ptpt -129.23 131.94 47.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 62.53 109.934 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -139.87 137.44 34.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.139 -0.975 . . . . 75.32 110.186 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -104.23 141.96 35.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 71.21 110.379 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.73 -170.21 2.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.238 -0.914 . . . . 51.03 110.088 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -64.86 -12.98 54.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 71.34 110.203 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -95.4 -9.64 32.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 64.04 110.216 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.51 -4.2 66.45 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.671 -1.372 . . . . 61.24 109.671 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.22 121.24 16.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -1.199 . . . . 74.32 110.18 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 m -86.21 133.71 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 62.33 110.231 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 28.7 m170 -108.74 140.91 41.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.846 . . . . 72.42 110.222 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.6 t60 -117.46 138.95 51.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 73.23 110.137 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 86' ' ' GLU . 92.1 m-85 -122.37 130.47 53.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 73.52 110.269 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.529 ' HE3' HG21 ' A' ' 54' ' ' ILE . 3.2 ttt -136.85 139.5 41.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 62.34 110.12 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -144.67 150.91 38.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 75.34 110.241 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.886 ' CE1' HG23 ' A' ' 11' ' ' VAL . 13.8 p90 -152.33 154.26 35.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.321 -0.862 . . . . 65.53 109.946 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 11.1 m170 -91.94 157.07 17.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 73.22 110.371 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 t -132.54 135.67 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 65.05 109.804 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 80' ' ' ILE . 5.0 tt0 -120.47 126.47 50.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.162 -0.961 . . . . 75.53 110.623 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 79' ' ' LYS . 10.9 p -116.67 176.29 5.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 33.43 109.952 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -78.93 -16.42 57.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 71.43 110.215 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' LYS . 1.1 mttm -99.07 -24.91 14.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 71.34 110.163 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 177.05 -179.81 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.308 -0.87 . . . . 71.24 110.089 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.593 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.1 mp -115.83 144.7 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 71.13 110.245 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.94 157.85 41.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 24.35 110.443 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -113.18 136.64 52.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 71.45 109.164 179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.709 HG21 HG11 ' A' ' 14' ' ' VAL . 55.5 t -124.44 131.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 63.11 111.218 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -128.8 131.14 47.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.55 -0.719 . . . . 63.0 109.076 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 72' ' ' PHE . 2.2 pp -126.0 151.67 46.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.048 . . . . 54.35 111.161 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' CG ' ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -131.34 131.75 43.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.577 -0.702 . . . . 61.12 109.463 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 51.11 110.748 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -112.56 144.59 41.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.45 -0.782 . . . . 73.05 109.91 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -85.96 138.32 32.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 64.43 110.412 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.35 133.93 52.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.384 -0.823 . . . . 74.24 109.901 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER 63.09 -140.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.16 -0.962 . . . . 75.2 109.717 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 5.1 pt20 -54.13 -165.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 64.52 110.239 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 93' ' ' ASN . 1.9 p-10 -89.97 30.9 1.01 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 65.21 110.316 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -160.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.224 -0.923 . . . . 65.12 110.14 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.36 139.58 81.65 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.322 -0.861 . . . . 71.2 110.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.584 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 48.4 Cg_endo -78.56 159.13 28.77 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 123.984 1.518 . . . . 74.11 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -101.55 123.61 45.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.956 . . . . 72.3 110.093 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 22.8 m-85 -65.72 124.62 22.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.123 -0.986 . . . . 74.11 110.144 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.06 -18.84 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.235 -0.916 . . . . 60.45 110.363 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.09 128.33 16.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 74.22 110.213 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.628 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -149.95 130.63 14.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 60.15 110.212 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -147.4 157.09 43.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 73.55 109.946 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 p -121.46 153.04 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 72.51 110.538 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.06 116.08 22.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.297 -0.877 . . . . 70.4 110.242 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.8 p -121.0 130.84 24.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.167 -0.958 . . . . 72.25 110.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.8 Cg_exo -63.01 132.09 35.37 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.931 1.49 . . . . 54.25 110.642 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.69 -20.3 24.42 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.991 -1.243 . . . . 55.33 109.991 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 105' ' ' VAL . 13.9 mm-40 -118.8 158.37 25.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.075 -1.25 . . . . 71.02 110.232 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.95 147.3 31.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.233 -0.917 . . . . 73.32 109.927 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 142.11 55.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 74.4 110.32 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -122.73 128.64 50.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.863 . . . . 71.43 109.965 179.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 33.4 m-85 -74.82 140.3 43.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.257 -0.902 . . . . 74.35 110.284 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -98.09 -29.63 13.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 73.23 110.067 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 101' ' ' MET . 16.5 mt -119.65 -49.36 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 75.53 110.006 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 4.5 tttm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.323 -0.861 . . . . 40.35 110.288 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.539 -1.425 . . . . 43.3 109.539 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 64.32 -70.27 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.218 -1.166 . . . . 75.43 110.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 1' ' ' GLY . 1.1 t0 -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 65.3 110.011 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.0 m -55.78 -52.28 64.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 71.33 109.525 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.75 -30.41 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.295 -0.878 . . . . 61.44 109.075 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 2.6 tt -55.93 -44.67 78.56 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 73.21 109.658 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -76.75 -33.25 58.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.402 -0.812 . . . . 74.15 109.731 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 4' ' ' THR . 3.1 m-80 -51.59 -51.78 52.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 73.43 110.189 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -63.03 -31.97 73.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 74.44 109.88 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.14 -37.51 66.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 72.34 110.093 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.69 -30.34 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.3 -0.875 . . . . 63.11 109.88 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -59.68 -49.6 77.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 64.42 110.303 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.02 -29.89 67.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 53.41 110.203 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 83' ' ' VAL . 34.8 t -75.02 -41.95 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.164 -0.96 . . . . 55.25 110.471 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -74.31 -21.11 59.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.898 . . . . 74.22 110.589 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -100.66 -15.33 17.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 72.33 110.105 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.64 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.1 t30 -44.95 130.61 7.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 73.02 110.537 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -66.65 -42.51 86.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.398 -0.814 . . . . 74.11 109.935 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.78 -49.39 77.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.559 -0.713 . . . . 71.52 110.354 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 103' ' ' VAL . 46.0 mm -67.54 -35.87 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 71.14 109.991 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.05 -39.93 60.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.193 -0.942 . . . . 74.23 109.394 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -65.86 -44.5 85.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.425 -0.797 . . . . 74.13 109.46 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.0 mt -63.01 -41.53 99.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.518 -0.738 . . . . 71.44 109.703 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -89.2 -10.01 48.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.341 -0.849 . . . . 72.22 110.17 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.2 mt-30 60.85 29.62 19.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 65.22 110.198 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 8.6 m -82.5 -166.12 1.21 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 64.13 110.087 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.9 168.37 17.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.174 -0.954 . . . . 72.13 110.106 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.07 89.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 73.44 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -160.42 165.15 34.84 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.556 -1.418 . . . . 65.34 109.556 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.52 -27.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.382 -1.069 . . . . 65.34 110.199 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 31' ' ' THR . 6.6 t -83.76 -15.54 48.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.284 -0.885 . . . . 72.43 110.485 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.98 121.07 0.86 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.826 -1.31 . . . . 52.31 109.826 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -117.34 121.71 41.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.265 -1.138 . . . . 74.22 110.107 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -73.12 142.98 47.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.353 -0.842 . . . . 52.14 110.188 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 31.2 tpt180 -112.63 114.05 26.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 63.44 109.996 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 15' ' ' GLU . 35.8 mt -110.23 145.45 37.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.398 -0.813 . . . . 72.23 109.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.38 130.47 56.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.164 -0.96 . . . . 71.51 110.521 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.81 163.17 21.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 71.14 110.012 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' O ' ' O ' ' A' ' 40' ' ' GLY . 8.7 p90 -152.35 157.72 41.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 72.05 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -57.48 -158.47 0.02 OUTLIER Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.578 -1.409 . . . . 73.35 109.578 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 15.0 pt-20 -84.73 -158.75 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -1.184 . . . . 73.4 110.241 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 3.1 tp 59.1 125.03 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.837 . . . . 75.41 110.166 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG23 ' C ' ' A' ' 42' ' ' LEU . 1.4 pp -145.66 -177.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 53.54 110.423 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 43' ' ' ILE . 85.9 m -164.11 -39.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.438 -0.789 . . . . 74.11 109.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 44.83 42.69 6.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 65.53 110.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -142.41 23.76 1.96 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 73.51 110.061 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 57.99 179.37 0.06 Allowed 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.223 0.535 . . . . 65.43 110.19 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 52.35 55.26 9.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.234 -0.916 . . . . 74.25 110.05 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ARG . 32.1 p -120.7 115.8 24.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 65.04 110.128 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -57.61 -161.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.164 -0.96 . . . . 72.13 110.258 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.08 118.32 25.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.223 -0.923 . . . . 72.14 110.432 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -112.64 130.24 23.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 71.15 109.937 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -69.99 159.75 52.1 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 123.958 1.504 . . . . 75.13 110.594 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -79.09 127.66 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 73.43 110.271 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' O ' ' HE1' ' A' ' 70' ' ' MET . 14.4 p -101.22 153.07 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 75.14 110.109 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 151.57 39.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.912 . . . . 72.0 110.374 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -99.74 149.38 23.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 62.44 110.031 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 3.8 ptmt -125.32 134.72 52.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.194 -0.941 . . . . 72.5 110.63 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.68 126.13 13.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 72.32 110.221 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -107.43 136.72 46.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 73.4 110.203 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.52 -175.65 4.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 52.35 110.454 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.51 -23.01 47.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 72.42 109.96 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.46 -11.12 59.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.109 -0.994 . . . . 71.34 110.392 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 4.98 85.41 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.425 -1.47 . . . . 40.42 109.425 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -76.13 125.93 30.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -1.123 . . . . 53.35 110.11 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 9.1 m -78.52 137.25 37.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.223 -0.923 . . . . 64.14 110.254 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -119.32 140.44 50.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.188 -0.945 . . . . 75.2 110.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 6.6 t-80 -119.07 142.4 47.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 54.54 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 13.7 m-85 -127.44 123.96 37.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.241 -0.912 . . . . 74.43 110.086 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.455 ' HE1' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.8 141.0 48.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 63.3 110.047 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 14.7 ptt180 -149.94 144.73 26.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.195 -0.941 . . . . 70.44 110.39 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.583 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 7.0 p90 -154.86 151.73 28.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 64.22 109.915 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CG ' HD23 ' A' ' 82' ' ' LEU . 74.2 m-70 -89.8 157.14 18.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.976 . . . . 73.02 110.575 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 38' ' ' ALA . 4.5 t -125.96 133.39 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 64.44 109.921 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.89 121.5 44.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 52.21 110.34 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -115.35 162.55 16.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 72.53 110.121 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -69.27 -13.87 62.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 75.33 110.221 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 3.4 mmtm -98.86 -28.82 13.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 70.25 110.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -178.58 -161.12 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.985 . . . . 72.52 110.394 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.98 141.48 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.309 -0.87 . . . . 55.41 110.18 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 105' ' ' VAL . . . -135.89 157.38 46.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 32.35 110.389 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.1 tm? -116.4 132.29 56.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 54.25 109.584 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG21 HG11 ' A' ' 14' ' ' VAL . 77.7 t -112.84 125.74 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.144 -0.972 . . . . 75.25 111.118 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 6.3 t-160 -119.94 127.79 53.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.51 -0.744 . . . . 74.1 109.422 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.5 pp -129.16 149.59 50.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.036 -1.04 . . . . 72.14 110.867 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' OE2' HD11 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -122.94 130.0 52.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.515 -0.741 . . . . 71.14 109.377 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -114.19 138.0 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.038 -1.039 . . . . 65.31 110.565 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 99' ' ' ILE . 2.7 ttpt -121.82 139.66 53.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.478 -0.764 . . . . 65.32 109.886 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -104.03 131.04 51.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.257 -0.902 . . . . 70.13 109.95 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' GLN . 76.6 p -101.24 123.51 45.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.211 -0.931 . . . . 72.51 110.808 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 1.7 tmtm? 51.64 -83.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.424 -0.798 . . . . 73.33 110.839 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.7 tt0 -164.02 68.93 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.72 -1.238 . . . . 52.23 110.543 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.44 78.48 1.14 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 52.2 110.037 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.9 t80 46.78 -138.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 70.12 109.916 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.54 158.19 86.75 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.55 110.059 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -62.8 165.73 15.5 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 O-C-N 124.084 1.571 . . . . 73.12 110.264 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.1 m-20 -110.66 142.65 42.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 72.44 110.243 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 85' ' ' LEU . 42.4 m-85 -58.9 128.69 38.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.297 -0.877 . . . . 71.04 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 88' ' ' LYS . 6.7 pt -117.9 -23.13 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.441 -0.787 . . . . 72.11 109.818 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 78.5 m-20 -137.57 130.05 29.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.838 . . . . 63.41 109.887 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.953 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.5 122.8 9.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.011 . . . . 71.41 110.61 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 33.5 p90 -147.65 158.82 44.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 64.35 110.031 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 20' ' ' ILE . 12.0 p -122.44 151.84 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.13 -0.981 . . . . 72.45 110.409 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.89 121.62 32.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.158 -0.964 . . . . 72.01 110.284 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.495 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.2 m -114.39 133.47 22.45 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 44.35 110.086 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 19.6 Cg_exo -60.88 127.16 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.069 1.563 . . . . 63.51 110.932 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.23 -18.01 30.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.422 -1.071 . . . . 54.24 110.422 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 47.8 mt-10 -118.51 162.24 18.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.278 . . . . 73.42 110.774 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 145.51 38.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.437 -0.79 . . . . 75.2 110.096 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.4 ptt180 -76.78 140.97 40.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 73.41 110.331 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.544 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -116.44 127.89 55.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 71.23 110.035 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 115' ' ' LYS . 25.2 p90 -75.81 138.27 41.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.143 -0.973 . . . . 75.33 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.64 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.58 -35.51 12.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 50.21 109.99 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.953 HD12 ' HB2' ' A' ' 101' ' ' MET . 92.3 mt -117.5 -69.38 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 74.23 110.084 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 73.33 110.219 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.434 -1.467 . . . . 62.23 109.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -56.08 -37.38 69.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -1.139 . . . . 74.34 110.315 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.7 p30 -59.18 -25.94 64.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 74.14 110.042 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 87.4 m -59.01 -31.97 69.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 74.2 109.843 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -70.55 -33.79 71.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 72.21 110.022 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.65 -40.05 95.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 72.45 109.957 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.03 -36.85 58.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 73.42 109.613 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -56.27 -50.68 70.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 73.34 110.122 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.2 ptm85 -68.34 -35.89 78.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.343 -0.848 . . . . 74.43 110.135 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -67.79 -43.82 78.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 62.1 110.093 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -67.79 -32.38 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 70.14 109.815 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 20.9 t -63.51 -48.73 76.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 75.33 110.108 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 7.3 ptt? -68.44 -31.54 70.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.935 . . . . 65.53 110.021 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 101' ' ' MET . 52.3 t -74.78 -40.41 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 64.32 110.838 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 12' ' ' SER . 23.1 pt-20 -76.69 -19.29 57.88 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.143 -0.973 . . . . 74.4 110.76 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 8.1 pttp -103.67 -14.52 16.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 74.45 110.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' MET . 4.2 t30 -48.03 131.78 15.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 64.44 110.295 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.23 -44.62 83.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.244 -0.91 . . . . 75.43 109.996 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 54.6 m-20 -56.92 -46.34 82.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.454 -0.779 . . . . 71.23 110.111 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 34.9 mm -70.83 -34.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.218 -0.926 . . . . 70.32 109.788 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 6.3 ttp180 -53.19 -34.67 57.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.408 -0.808 . . . . 63.31 110.17 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.95 . . . . 73.4 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 111' ' ' TYR . 8.7 mt -73.59 -43.84 58.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 75.22 110.026 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -86.14 -4.35 59.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 72.15 110.195 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 54.69 39.5 31.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.182 -0.948 . . . . 71.54 109.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 27' ' ' ASP . 5.8 t -87.44 165.93 15.18 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.422 -0.798 . . . . 64.01 110.075 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -123.39 179.4 4.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.309 -0.869 . . . . 72.03 110.153 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 174.1 84.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.121 -0.987 . . . . 70.42 110.21 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -152.55 158.62 27.96 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.645 -1.382 . . . . 75.42 109.645 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' C ' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.39 -26.69 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -1.08 . . . . 71.41 110.169 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 31' ' ' THR . 2.6 p -81.79 -23.55 36.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.311 -0.868 . . . . 53.44 109.855 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.73 123.51 1.1 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.493 -1.443 . . . . 31.23 109.493 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.6 mttm -119.15 121.27 39.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 75.15 110.37 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 4.2 tp10 -80.23 143.08 34.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 71.44 109.759 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 118.03 29.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.133 -0.979 . . . . 64.35 110.662 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 15' ' ' GLU . 45.8 mt -109.81 145.71 36.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 74.3 110.012 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -120.28 143.85 48.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 73.25 110.259 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.924 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -141.19 149.71 41.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.43 -0.794 . . . . 63.13 110.285 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -147.99 154.89 40.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.235 -0.916 . . . . 73.14 110.126 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -159.79 3.17 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.014 -1.234 . . . . 74.43 110.014 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' HD12 ' A' ' 42' ' ' LEU . 14.6 mm-40 -130.42 -150.66 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -1.097 . . . . 72.24 110.038 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' ILE . 2.2 tp -161.05 -167.55 1.84 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.145 -0.972 . . . . 72.51 110.488 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 19.1 pt -51.87 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.393 -0.817 . . . . 72.44 110.539 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -60.18 2.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.343 -0.848 . . . . 72.43 110.106 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -130.84 114.42 15.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.273 -0.892 . . . . 51.4 109.959 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 49' ' ' THR . 17.7 p-10 -108.65 -165.68 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.2 -0.937 . . . . 53.32 110.223 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -155.55 0.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.198 -0.939 . . . . 73.2 110.268 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -72.68 -8.31 54.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 75.45 110.235 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -77.93 155.37 30.91 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.282 -0.886 . . . . 73.01 109.77 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.58 38.69 0.06 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.059 -1.026 . . . . 71.52 110.51 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -141.73 51.16 1.54 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.202 -0.936 . . . . 74.54 110.029 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 24.4 mmt180 -86.8 165.17 33.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.274 -0.891 . . . . 73.52 110.083 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 52' ' ' ARG . 28.6 Cg_endo -67.02 160.46 47.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 124.071 1.564 . . . . 71.44 110.222 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 54' ' ' ILE . 16.8 mm -78.3 128.76 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 70.3 110.215 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -96.77 149.7 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 73.11 110.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m -129.66 139.75 51.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 75.31 110.62 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 20.8 p -102.91 149.72 24.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.392 -0.817 . . . . 63.23 110.007 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -129.21 132.54 47.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 74.11 110.735 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -138.24 128.14 25.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.297 -0.877 . . . . 73.31 109.769 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -88.23 142.21 27.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.194 -0.941 . . . . 74.13 110.67 -179.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 41.1 p30 -95.65 -176.8 3.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.36 -0.838 . . . . 55.34 110.12 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -14.45 11.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 65.24 110.305 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.3 -5.6 56.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 71.13 110.256 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.57 2.71 86.94 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.435 -1.466 . . . . 72.54 109.435 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 9.7 tpp180 -83.77 129.84 34.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 72.33 110.091 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.3 m -77.88 138.74 39.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 65.54 110.387 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 30.0 m170 -113.83 138.7 49.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 74.22 109.81 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' THR . 2.9 m-70 -117.95 141.22 48.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.02 -1.05 . . . . 74.1 110.931 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE1' ' CD ' ' A' ' 86' ' ' GLU . 94.8 m-85 -121.34 127.28 51.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.375 -0.828 . . . . 74.44 109.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 27.8 ttm -149.09 130.5 14.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 73.44 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.485 ' HB3' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.02 148.65 35.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.356 -0.84 . . . . 72.21 109.948 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 5.6 p90 -147.68 162.3 39.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 74.22 110.128 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.536 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 m170 -95.62 159.2 15.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 52.45 110.27 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 38' ' ' ALA . 9.1 t -127.3 135.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.403 -0.811 . . . . 62.52 109.959 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.05 120.02 40.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 63.15 110.273 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 36' ' ' LEU . 23.4 m -112.83 172.39 6.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 64.43 110.131 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -19.47 53.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 61.34 110.098 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 2.1 mttt -94.67 -26.75 16.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 74.35 109.932 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 179.74 -167.74 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.335 -0.853 . . . . 71.12 110.01 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.97 138.84 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 74.12 110.424 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.49 155.94 44.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 70.42 109.971 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 83' ' ' VAL . 5.9 tt -114.86 134.29 55.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.883 . . . . 71.05 109.901 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.81 ' N ' HD23 ' A' ' 82' ' ' LEU . 65.7 t -117.72 123.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 64.13 110.685 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 3.4 t-160 -120.88 128.9 53.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 72.52 109.286 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 98' ' ' PHE . 3.4 pp -134.95 148.24 49.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.07 -1.019 . . . . 65.21 111.246 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.488 ' CD ' ' CE1' ' A' ' 69' ' ' TYR . 2.1 tt0 -116.07 133.94 55.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.589 -0.694 . . . . 71.23 109.163 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -115.68 150.31 36.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 53.33 110.939 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -132.8 139.42 47.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.499 -0.751 . . . . 64.41 109.671 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -87.87 139.1 30.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 71.22 110.471 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -116.83 132.25 56.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 74.21 110.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.42 -161.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.258 -0.902 . . . . 64.33 110.316 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 2.8 tt0 -120.42 23.26 10.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 71.53 110.178 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 42.74 3.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -0.916 . . . . 73.53 110.267 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -171.71 -176.05 1.68 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 74.33 110.028 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -113.78 156.53 43.59 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.243 -0.911 . . . . 74.23 109.906 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -44.93 144.65 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 123.855 1.45 . . . . 63.43 110.048 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -122.55 148.57 45.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.126 -0.984 . . . . 63.44 110.097 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.745 ' CD2' HD13 ' A' ' 85' ' ' LEU . 23.4 m-85 -68.76 131.91 45.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 73.11 110.401 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' HB3' ' A' ' 86' ' ' GLU . 2.9 pt -114.65 -16.58 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.909 . . . . 75.11 109.669 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 4.0 m120 -149.76 129.45 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.379 -0.825 . . . . 73.33 109.498 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.82 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.67 118.12 6.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.998 -1.064 . . . . 72.52 110.898 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 9.6 p90 -147.44 155.2 41.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.397 -0.814 . . . . 62.24 109.656 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' LEU . 8.7 p -124.34 149.5 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 61.3 110.718 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 114.97 29.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.373 -0.829 . . . . 65.5 109.597 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.17 127.1 27.41 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.87 . . . . 65.03 110.38 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -63.34 126.57 18.02 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.864 1.455 . . . . 75.53 110.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.35 -19.62 26.55 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.979 -1.248 . . . . 73.11 109.979 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -116.54 169.95 8.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.022 -1.281 . . . . 74.33 110.653 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -85.68 139.8 31.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 73.11 110.146 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -60.06 131.03 49.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.311 -0.868 . . . . 61.34 110.013 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ASP . 11.5 t80 -108.56 133.16 53.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.17 -0.956 . . . . 53.22 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 53.1 m-85 -88.86 134.12 34.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.327 -0.858 . . . . 71.25 110.399 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -27.71 19.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.157 -0.964 . . . . 63.41 109.734 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 114' ' ' ILE . 56.5 mt -133.64 -52.04 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.331 -0.856 . . . . 72.25 110.145 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 73.33 110.259 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.491 -1.444 . . . . 73.54 109.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -85.94 3.5 41.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -1.19 . . . . 72.4 110.167 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.62 -29.79 69.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 71.2 110.034 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -54.64 -37.14 65.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 64.22 109.9 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -59.78 -32.31 70.49 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.349 -0.844 . . . . 74.31 109.851 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.7 tp -60.21 -42.21 94.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 71.24 109.746 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.2 -33.38 59.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.86 . . . . 74.53 109.448 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.31 -44.91 72.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.433 -0.792 . . . . 62.21 110.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 8.8 ptm180 -70.76 -31.93 68.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 73.44 110.22 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.66 -42.2 78.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.089 -1.007 . . . . 72.5 109.634 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.997 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.26 -31.65 44.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.316 -0.865 . . . . 64.31 109.874 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -62.37 -50.73 70.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 63.45 110.487 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.49 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 12.3 ptt? -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.132 -0.98 . . . . 51.54 110.016 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 113' ' ' LEU . 55.5 t -74.66 -38.8 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.364 -0.835 . . . . 74.23 110.464 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 12' ' ' SER . 10.0 pt-20 -74.61 -25.61 59.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.047 -1.033 . . . . 62.54 110.452 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.5 OUTLIER -98.07 -18.03 18.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 62.2 110.039 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -44.4 125.32 4.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.853 . . . . 62.04 110.182 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -64.4 -38.5 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 75.43 110.01 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.527 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 6.0 m-20 -62.08 -40.51 96.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.268 -0.895 . . . . 73.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 24' ' ' LEU . 49.2 mm -75.81 -33.96 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 71.34 109.83 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 20.3 ttp85 -51.88 -40.62 60.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 74.41 109.949 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.92 77.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 73.13 110.201 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD22 ' OE2' ' A' ' 108' ' ' GLU . 12.6 mt -73.38 -40.7 64.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 74.51 110.226 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 76' ' ' SER . 1.2 mt -87.66 -9.46 54.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 55.5 110.413 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ARG . 36.4 mt-30 57.33 38.32 28.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 75.32 109.896 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' SG ' ' HG3' ' A' ' 21' ' ' ARG . 19.5 p -92.97 157.62 16.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.855 . . . . 75.53 110.222 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.5 173.16 8.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 64.45 110.397 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.45 79.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.881 . . . . 72.12 110.113 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.24 173.95 22.2 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.541 -1.423 . . . . 62.41 109.541 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 tp -68.76 -16.66 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -1.178 . . . . 74.35 110.227 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -109.15 4.12 22.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.161 -0.962 . . . . 64.41 110.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.15 117.44 0.62 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.541 -1.424 . . . . 73.11 109.541 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.77 136.86 54.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.208 -1.172 . . . . 71.24 110.404 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -89.02 143.32 26.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.247 -0.908 . . . . 61.42 110.315 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 119.17 35.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 72.4 110.644 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.88 146.37 35.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 61.04 109.955 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 75' ' ' GLU . 1.0 OUTLIER -121.32 139.33 53.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.189 -0.944 . . . . 70.34 110.558 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.997 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.13 160.51 35.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.468 -0.77 . . . . 72.5 110.206 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' HB2' HD12 ' A' ' 42' ' ' LEU . 4.5 p90 -153.17 148.79 27.32 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.249 -0.907 . . . . 75.21 110.067 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 -134.18 0.06 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.905 -1.278 . . . . 62.13 109.905 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.5 pt-20 -58.21 148.15 27.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.081 . . . . 72.33 110.617 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HB2' ' A' ' 39' ' ' TYR . 1.2 mt -179.62 98.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 70.2 109.915 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.3 pt -61.84 -172.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.362 -0.836 . . . . 72.33 110.586 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m -72.46 -58.47 3.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 74.43 109.958 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.72 91.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 75.42 109.927 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -86.02 178.88 7.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 70.25 110.557 -179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.7 mmtp 51.91 -168.37 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.395 -0.816 . . . . 42.55 110.424 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' HG23 ' A' ' 49' ' ' THR . 9.8 m0 41.22 27.29 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.421 -0.8 . . . . 71.51 110.427 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 48' ' ' TRP . 11.3 p -152.58 147.28 25.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 70.34 110.163 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' ASN . 5.4 tpt180 -101.55 75.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -0.912 . . . . 63.44 110.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -41.75 119.98 1.41 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.369 -0.832 . . . . 62.44 110.46 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' CB ' ' HD2' ' A' ' 53' ' ' PRO . 4.6 mtt180 -76.97 169.19 22.43 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 72.11 110.287 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -60.98 161.4 22.35 Favored 'Trans proline' 0 C--N 1.302 -1.887 0 O-C-N 124.207 1.635 . . . . 63.23 110.76 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 54' ' ' ILE . 17.8 mm -77.53 128.75 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.513 -0.742 . . . . 35.33 110.187 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -103.8 153.22 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 71.24 110.357 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 m -119.92 150.29 40.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 50.02 110.286 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 41.2 p -99.43 141.69 31.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.257 -0.902 . . . . 62.13 109.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -110.22 125.39 53.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.206 -0.934 . . . . 64.41 110.357 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 12.7 mttt -143.32 137.22 28.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 61.21 109.984 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -111.43 145.96 38.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 74.21 110.547 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.11 -164.08 1.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.378 -0.826 . . . . 73.44 110.263 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -25.33 65.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.848 . . . . 74.24 110.478 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -80.48 -11.56 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.196 -0.94 . . . . 74.43 110.508 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.08 13.15 59.31 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.752 -1.339 . . . . 73.43 109.752 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -87.12 121.43 29.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -1.164 . . . . 72.13 109.849 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.506 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 25.6 m -82.92 136.78 34.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.161 -0.962 . . . . 72.15 110.393 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -121.39 149.38 43.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 54.55 109.786 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 57' ' ' THR . 4.6 m-70 -115.95 138.41 51.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 73.25 110.105 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 33.5 m-85 -111.26 121.71 45.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 73.44 110.613 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.3 ttm -133.92 130.38 37.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 74.11 109.809 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.9 OUTLIER -140.04 154.22 47.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.15 -0.968 . . . . 64.01 110.634 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HE1' HG23 ' A' ' 11' ' ' VAL . 12.0 p90 -159.21 169.75 23.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.391 -0.818 . . . . 75.4 109.737 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -108.56 152.0 25.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 74.23 110.26 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.4 t -123.87 130.27 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.368 -0.832 . . . . 73.55 109.74 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.493 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 1.7 tt0 -110.25 117.72 34.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 72.11 110.375 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.541 ' CB ' HD22 ' A' ' 24' ' ' LEU . 6.5 p -101.49 175.79 5.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.523 -0.735 . . . . 71.32 109.907 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -13.33 59.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 72.14 110.001 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 -25.24 12.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 73.04 110.513 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -173.01 -155.11 0.08 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 70.22 110.776 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.4 mt -135.03 143.1 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 62.34 109.856 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.34 157.84 45.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 43.44 110.626 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -116.38 138.38 51.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 72.13 109.934 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 103' ' ' VAL . 92.1 t -117.23 130.22 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.212 -0.93 . . . . 61.53 110.793 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 3.3 t60 -126.93 118.64 24.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 75.45 109.69 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.635 HD13 ' CE2' ' A' ' 98' ' ' PHE . 2.0 pp -128.39 151.82 48.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 72.03 110.858 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.42 137.6 53.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.826 . . . . 75.11 109.528 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.49 154.37 37.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.051 -1.031 . . . . 72.44 111.202 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -125.69 146.41 49.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.636 -0.665 . . . . 54.34 109.674 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.506 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -84.5 140.35 31.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.063 -1.023 . . . . 55.01 110.84 -179.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -95.58 151.36 19.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 72.23 109.829 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -38.36 -65.7 0.32 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.439 -0.788 . . . . 70.34 110.524 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -177.79 55.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.205 -0.934 . . . . 72.43 110.171 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 94' ' ' TYR . 9.0 m120 -123.19 -14.07 7.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 74.12 110.334 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 93' ' ' ASN . 4.0 t80 -179.41 -169.18 0.14 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 75.43 110.445 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -78.27 158.54 76.7 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.424 -0.798 . . . . 54.3 110.041 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.61 160.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.939 1.494 . . . . 71.41 109.994 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -129.17 139.32 51.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 73.22 110.529 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.635 ' CE2' HD13 ' A' ' 85' ' ' LEU . 18.0 m-85 -69.4 139.81 54.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 73.24 109.99 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.457 HG21 ' CD ' ' A' ' 88' ' ' LYS . 1.7 pt -120.89 -17.12 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.266 -0.896 . . . . 64.01 110.033 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 6.6 m120 -142.19 129.28 20.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 64.41 109.666 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -148.9 114.82 5.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.085 -1.009 . . . . 73.34 110.671 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 13.6 p90 -147.28 158.23 43.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.89 . . . . 75.1 109.919 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.719 HG22 HG22 ' A' ' 83' ' ' VAL . 88.8 t -129.82 143.16 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.108 -0.995 . . . . 73.42 110.582 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.04 115.25 27.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.348 -0.845 . . . . 65.52 109.922 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.89 115.75 54.8 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 73.33 110.156 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -58.46 127.0 23.06 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.872 1.459 . . . . 74.42 110.305 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.28 -15.57 49.04 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.423 . . . . 43.5 109.544 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' OE2' HD22 ' A' ' 23' ' ' LEU . 5.1 mm-40 -117.95 163.32 16.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.183 -1.187 . . . . 74.2 110.29 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -80.27 150.28 30.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.222 -0.924 . . . . 64.42 110.221 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 123.34 18.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.289 -0.882 . . . . 61.52 110.423 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -106.45 128.74 54.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 70.33 109.799 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 21.9 p90 -91.82 132.84 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 75.21 110.547 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.56 HD13 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -86.35 -31.5 21.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 54.05 109.941 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 101' ' ' MET . 96.4 mt -131.94 -46.46 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 63.21 109.944 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.85 . . . . 60.24 110.184 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.54 -1.424 . . . . 62.23 109.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' OE1' ' A' ' 5' ' ' GLN . 86.9 p -133.23 13.96 4.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -1.145 . . . . 74.34 110.102 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -56.5 -35.56 68.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.239 -0.913 . . . . 74.14 110.159 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.9 m -65.09 -44.95 87.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 74.2 110.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 2' ' ' SER . 14.2 mt-30 -66.87 -36.97 83.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.854 . . . . 72.21 109.998 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -44.21 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.36 -0.837 . . . . 72.45 110.087 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.25 -33.43 63.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 73.42 109.65 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.09 -48.77 70.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.272 -0.893 . . . . 73.34 110.529 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 9.5 ptm180 -72.35 -31.85 65.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.135 -0.978 . . . . 74.43 110.549 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -68.69 -45.58 71.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.074 -1.016 . . . . 62.1 109.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.927 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -64.71 -34.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.329 -0.857 . . . . 70.14 110.227 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -61.39 -49.11 78.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 75.33 110.289 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.7 ptp -67.82 -31.58 71.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.241 -0.912 . . . . 65.53 110.415 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG11 HG21 ' A' ' 83' ' ' VAL . 24.9 t -74.68 -39.79 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 64.32 110.958 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -78.73 -21.4 48.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 74.4 110.969 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 2.0 ptmm? -95.76 -17.19 21.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.95 -1.094 . . . . 74.45 110.049 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -50.76 117.1 2.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 64.44 110.512 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 15.9 pttm -55.65 -33.59 64.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 75.43 109.658 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' HG3' ' A' ' 18' ' ' LYS . 20.7 m-20 -62.87 -49.63 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.301 -0.875 . . . . 71.23 109.607 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -73.41 -32.47 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 70.32 109.593 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 ttm180 -53.82 -32.78 53.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 63.31 110.275 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -33.64 76.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.363 -0.836 . . . . 73.4 110.216 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 mt -70.8 -45.49 64.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 75.22 109.55 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.77 -10.27 59.29 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.535 -0.728 . . . . 72.15 110.722 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 48.62 31.86 3.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 71.54 109.742 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 30.9 p -77.67 -159.8 0.16 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 64.01 110.782 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.53 164.71 25.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.292 -0.88 . . . . 72.03 110.115 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 8.6 p-10 -168.79 100.37 0.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.204 -0.935 . . . . 70.42 110.198 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -132.05 147.49 18.74 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.633 -1.387 . . . . 75.42 109.633 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 ' H ' HG22 ' A' ' 30' ' ' ILE . 5.7 tt -53.38 -26.01 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.161 -1.2 . . . . 71.41 110.247 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t -86.29 -14.04 44.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -0.957 . . . . 53.44 110.236 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.47 134.78 1.89 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.362 -1.495 . . . . 31.23 109.362 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 13.0 mttm -126.66 161.23 28.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -1.149 . . . . 75.15 110.184 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' OE2' ' HE2' ' A' ' 77' ' ' LYS . 4.3 tp10 -73.1 143.51 47.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 71.44 109.825 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 114.72 27.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.255 -0.903 . . . . 64.35 110.156 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 15' ' ' GLU . 12.2 mt -99.07 147.18 25.31 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.335 -0.853 . . . . 74.3 109.998 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 129.81 56.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 73.25 110.789 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.59 147.17 52.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.412 -0.805 . . . . 63.13 109.72 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -157.56 167.22 30.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 73.14 110.44 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -81.7 -142.6 3.81 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.488 -1.445 . . . . 74.43 109.488 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -54.5 147.33 14.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -1.149 . . . . 72.24 110.21 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.44 139.56 9.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.137 -0.977 . . . . 72.51 110.4 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 45' ' ' ASN . 1.1 pt -139.29 -168.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.293 -0.879 . . . . 72.44 110.251 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.5 m -112.85 -26.99 8.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 72.43 111.119 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' N ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -111.17 92.62 4.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.904 -1.123 . . . . 51.4 110.548 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD2' ' O ' ' A' ' 47' ' ' LYS . 5.7 p30 -120.99 -149.78 0.44 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.253 -0.905 . . . . 53.32 110.221 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.6 mttt -102.3 -161.05 0.82 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.941 . . . . 73.2 110.587 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 49' ' ' THR . 5.4 p90 -61.89 -20.58 63.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 75.45 110.233 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.556 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -58.67 154.2 15.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 73.01 110.302 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' NH1' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -100.86 -11.73 19.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.872 . . . . 71.52 110.097 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -170.21 144.86 2.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.949 . . . . 74.54 110.254 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -96.37 139.21 21.59 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 73.52 110.027 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.09 160.07 46.39 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.019 1.537 . . . . 71.44 110.484 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.1 mm -84.97 132.13 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 70.3 110.352 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -97.69 146.64 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.301 -0.875 . . . . 73.11 110.022 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -124.9 149.94 47.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.931 . . . . 75.31 110.398 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.2 p -100.23 140.89 33.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 63.23 110.31 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -127.73 133.54 49.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 74.11 110.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.14 136.11 23.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.883 . . . . 73.31 110.283 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -120.66 142.18 49.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.301 -0.874 . . . . 74.13 110.235 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -90.27 -166.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.309 -0.869 . . . . 55.34 110.715 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -7.03 45.66 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.404 -0.81 . . . . 65.24 110.667 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -96.42 -12.99 23.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.074 -1.016 . . . . 71.13 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.25 2.27 59.15 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.964 -1.254 . . . . 72.54 109.964 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -75.76 121.63 22.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.042 -1.269 . . . . 72.33 110.052 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.7 m -92.58 132.88 36.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.34 -0.85 . . . . 65.54 110.349 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -112.26 140.3 47.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 74.22 109.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.63 137.55 53.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 74.1 110.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.0 m-85 -126.01 121.38 32.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.877 . . . . 74.44 109.974 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 ttp -140.02 138.68 35.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -0.936 . . . . 73.44 110.554 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.487 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -144.36 148.19 34.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.243 -0.911 . . . . 72.21 110.099 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 1.5 p90 -147.93 154.87 40.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.196 -0.94 . . . . 74.22 110.212 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.639 ' CD2' HD23 ' A' ' 82' ' ' LEU . 38.5 m-70 -99.28 160.16 14.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 52.45 110.466 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 38' ' ' ALA . 25.7 t -123.8 146.11 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 62.52 109.616 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -119.28 118.77 32.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 63.15 110.95 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.462 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -117.14 173.5 6.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.773 . . . . 64.43 109.738 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HE2' ' OE2' ' A' ' 34' ' ' GLU . 15.2 pttt -78.62 -14.28 59.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 61.34 109.956 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -97.3 -25.35 15.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 74.35 110.303 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER 174.91 -176.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.157 -0.964 . . . . 71.12 110.197 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 74' ' ' VAL . 19.0 mt -114.9 139.56 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.361 -0.837 . . . . 74.12 109.586 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -124.48 157.93 34.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 70.42 110.686 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 82' ' ' LEU . 1.5 tm? -120.67 127.36 51.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.346 -0.846 . . . . 71.05 110.03 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 52.8 t -110.9 133.13 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.31 -0.869 . . . . 64.13 110.272 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 2.0 t60 -129.83 136.8 49.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 72.52 109.885 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -142.54 148.21 37.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.165 -0.959 . . . . 65.21 110.565 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -122.68 137.53 54.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -0.789 . . . . 71.23 109.622 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB2' ' HD1' ' A' ' 98' ' ' PHE . . . -132.76 148.63 52.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.151 -0.968 . . . . 53.33 110.823 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.51 ' HG3' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -134.72 146.2 49.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.494 -0.754 . . . . 64.41 109.004 179.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.1 pt-20 -84.37 138.53 32.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.044 -1.035 . . . . 71.22 110.996 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.88 148.2 51.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.445 -0.785 . . . . 74.21 109.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -52.87 143.58 16.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 64.33 110.508 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.497 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 47.5 tp60 41.51 66.55 0.67 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 71.53 110.445 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -149.74 32.35 0.7 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 73.53 110.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 45.78 -142.08 0.31 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -0.885 . . . . 74.33 110.13 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.52 158.54 78.25 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 74.23 109.919 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.1 157.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.858 1.452 . . . . 63.43 110.193 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.51 ' OD1' ' HG3' ' A' ' 88' ' ' LYS . 8.5 p-10 -116.38 141.13 48.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 63.44 110.571 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' A' ' 87' ' ' ALA . 23.3 m-85 -77.29 135.93 38.45 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.313 -0.867 . . . . 73.11 109.755 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' ND2' ' A' ' 100' ' ' ASN . 2.7 pt -114.63 -13.11 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.181 -0.949 . . . . 75.11 110.118 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 17.0 m-80 -149.92 129.35 12.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 73.33 109.747 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -146.19 119.33 8.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.213 -0.93 . . . . 72.52 110.152 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.579 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 29.6 p90 -147.28 161.05 41.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.287 -0.883 . . . . 62.24 110.086 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.1 p -124.04 151.62 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.967 . . . . 61.3 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.27 114.94 27.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 65.5 110.232 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.85 129.32 25.08 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 65.03 109.894 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.503 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 17.2 Cg_endo -63.52 126.85 18.45 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.947 1.499 . . . . 75.53 110.575 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.77 -19.88 22.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.958 -1.257 . . . . 73.11 109.958 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -118.43 169.96 9.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.108 -1.23 . . . . 74.33 110.346 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -85.57 142.89 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 73.11 110.006 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -65.96 143.1 57.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 61.34 110.173 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -113.28 132.96 55.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 53.22 110.061 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 80.5 m-85 -84.1 132.87 34.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 71.25 110.381 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -87.51 -40.25 14.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 63.41 109.962 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 101' ' ' MET . 54.3 mt -109.75 -77.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 72.25 109.983 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 112' ' ' TYR . 3.4 ttpt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.891 . . . . 73.33 110.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.561 -1.416 . . . . 43.31 109.561 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -107.97 -13.04 15.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -1.122 . . . . 75.2 110.081 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.86 -38.58 57.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 70.31 110.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -59.9 -51.45 69.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 75.44 110.318 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.83 -31.7 72.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -0.871 . . . . 65.33 110.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 54.12 109.968 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.78 -33.29 58.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.399 -0.813 . . . . 72.34 109.897 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.8 m-20 -56.48 -51.31 68.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 72.45 110.769 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 ptm180 -61.61 -31.59 71.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.056 -1.027 . . . . 74.13 110.413 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . . . -71.42 -48.07 51.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 71.31 109.671 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -68.25 -33.75 62.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.407 -0.808 . . . . 61.31 110.014 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 3.7 m -58.77 -50.48 73.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 64.52 110.313 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.518 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.4 ptm -66.83 -31.76 72.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.846 . . . . 53.12 110.039 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG22 ' HG ' ' A' ' 113' ' ' LEU . 49.8 t -74.17 -37.52 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 72.54 110.78 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 12' ' ' SER . 9.9 pt-20 -78.1 -25.71 47.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 75.42 110.913 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -95.08 -17.43 21.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.956 -1.09 . . . . 72.31 110.482 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 7.3 t-20 -49.16 126.78 13.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 73.2 110.213 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 26.4 pttt -65.91 -36.54 83.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 72.13 110.713 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' HB2' ' OD1' ' A' ' 17' ' ' ASN . 9.9 m-20 -59.63 -48.21 82.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 62.51 110.003 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.551 ' CG1' HD21 ' A' ' 113' ' ' LEU . 26.7 mm -62.53 -36.21 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 41.23 109.658 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -53.94 -34.0 58.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 73.44 109.804 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -63.28 -40.13 96.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 64.4 109.827 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 52.1 mt -73.28 -43.42 61.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.386 -0.821 . . . . 74.33 109.61 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 mm? -83.05 -10.09 58.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.573 -0.705 . . . . 73.43 110.175 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . 39.4 mt-30 52.23 34.93 15.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 63.53 110.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' O ' ' CZ ' ' A' ' 21' ' ' ARG . 28.5 m -84.52 -174.15 5.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 73.44 110.174 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.7 174.05 6.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 64.24 110.08 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER 179.14 85.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.198 -0.939 . . . . 73.02 110.183 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.14 158.18 24.18 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.558 -1.417 . . . . 72.2 109.558 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -19.85 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -1.132 . . . . 72.33 110.18 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 ' H ' HG23 ' A' ' 31' ' ' THR . 2.2 p -87.15 -22.39 25.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -0.912 . . . . 73.45 109.879 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.56 118.69 0.69 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.388 -1.485 . . . . 74.4 109.388 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 22.5 mtpt -111.37 146.08 37.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.246 -1.15 . . . . 61.2 110.481 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.18 142.95 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.219 -0.926 . . . . 73.21 109.978 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -119.61 120.7 37.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 74.52 110.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 76' ' ' SER . 30.7 mt -109.6 146.13 35.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -0.867 . . . . 74.44 110.032 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 137.02 53.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 72.45 110.536 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.834 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -121.51 164.31 17.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.499 -0.751 . . . . 52.33 110.05 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' GLY . 29.2 m-85 -138.46 153.03 48.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.115 -0.99 . . . . 72.0 110.424 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.779 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . -60.93 -138.74 0.01 OUTLIER Glycine 0 N--CA 1.489 2.221 0 C-N-CA 120.218 -0.991 . . . . 72.22 110.807 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -70.05 -133.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.593 -0.945 . . . . 64.13 110.823 -179.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.573 HD13 ' HA ' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 58.82 148.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.255 -0.903 . . . . 73.04 109.993 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ASN . 14.7 pt -135.56 -165.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 75.23 110.461 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 46' ' ' ASP . 5.4 t -38.2 -28.01 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.692 -0.63 . . . . 74.52 110.964 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' ILE . 0.6 OUTLIER -41.5 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.223 -0.923 . . . . 55.41 110.345 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.7 t0 -113.47 -145.0 0.39 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.422 -0.799 . . . . 75.32 110.207 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 67.97 -154.03 0.19 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 75.34 110.418 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LYS . 82.5 m95 -34.51 -46.93 0.29 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.567 -0.708 . . . . 73.31 111.589 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 46' ' ' ASP . 2.2 p -57.73 148.08 25.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.924 -1.11 . . . . 63.54 110.403 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.28 -171.94 2.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.237 -0.914 . . . . 70.22 110.119 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.573 ' HA ' HD13 ' A' ' 42' ' ' LEU . 2.9 t30 -72.83 136.81 45.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.131 -0.981 . . . . 74.3 110.104 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 29.1 mmm-85 -91.61 163.52 27.91 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 72.32 110.367 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 52' ' ' ARG . 35.5 Cg_endo -72.46 160.08 47.64 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 124.02 1.537 . . . . 74.11 110.709 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' HA3' ' A' ' 40' ' ' GLY . 11.3 mm -86.99 108.45 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 73.44 110.513 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -99.7 148.55 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.182 -0.949 . . . . 73.11 109.967 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.76 150.49 42.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 64.55 110.498 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.9 p -100.05 145.48 27.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 62.32 110.131 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 126.47 37.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 72.31 110.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 133.52 43.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 75.14 110.079 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -105.84 136.09 46.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.33 110.21 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.46 -172.74 2.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 72.21 110.119 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -56.63 -20.04 19.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.22 -0.925 . . . . 75.54 110.31 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 14.5 mt-10 -84.45 -10.31 57.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 72.25 110.188 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.88 12.21 80.14 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.44 -1.464 . . . . 65.11 109.44 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 88' ' ' LYS . 35.1 ttp180 -86.59 122.62 30.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -1.151 . . . . 71.53 110.26 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -84.6 131.67 34.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.944 . . . . 64.41 110.401 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -109.9 142.25 41.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.918 . . . . 55.21 109.914 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 57' ' ' THR . 43.8 m-70 -117.38 137.49 52.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.204 -0.935 . . . . 74.23 110.391 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 10.2 m-85 -124.31 135.75 53.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 74.45 110.153 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm -141.6 143.84 33.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.166 -0.959 . . . . 74.35 110.263 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 149.65 38.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.935 . . . . 74.04 110.453 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 1.8 p90 -155.94 165.29 36.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -0.851 . . . . 70.41 110.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 m80 -102.05 157.4 16.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.161 -0.962 . . . . 62.1 109.965 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.826 HG22 ' HB2' ' A' ' 38' ' ' ALA . 75.7 t -124.87 140.63 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.238 -0.914 . . . . 63.02 110.14 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -119.08 122.13 41.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.228 -0.92 . . . . 73.53 110.462 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 36' ' ' LEU . 24.2 p -114.62 175.1 5.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 73.32 110.16 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -79.42 -17.32 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 53.41 110.318 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.81 -24.8 14.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 74.4 110.234 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 -166.57 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.335 -0.853 . . . . 74.32 110.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' VAL . 3.5 mp -125.68 144.93 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.244 -0.91 . . . . 63.42 110.098 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.16 157.99 44.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 44.01 110.513 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -112.82 137.99 50.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 74.41 109.684 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 103' ' ' VAL . 84.1 t -119.39 133.33 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 74.43 111.007 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 10.0 t60 -130.32 135.56 48.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.5 -0.75 . . . . 72.51 109.072 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -141.58 153.0 44.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 70.52 111.32 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' TYR . 1.1 tt0 -126.68 130.38 50.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.737 . . . . 71.12 109.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -123.31 153.33 40.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.014 -1.053 . . . . 44.51 111.067 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 65' ' ' ARG . 4.9 ttpt -119.77 144.38 47.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.515 -0.74 . . . . 75.0 109.819 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 1.2 pp20? -85.66 130.78 34.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 65.11 110.251 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LYS . 21.2 m -81.68 150.68 27.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.244 -0.91 . . . . 73.15 110.4 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -43.65 159.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 53.11 110.155 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER 63.67 -164.3 0.25 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 70.3 110.134 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -93.33 24.55 3.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 64.41 109.981 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -175.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 75.21 110.327 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.06 156.91 51.75 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 71.32 110.344 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -67.03 157.33 62.23 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.988 1.52 . . . . 71.52 110.213 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.85 117.31 21.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.153 -0.967 . . . . 73.31 110.437 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.64 ' CZ ' ' CZ ' ' A' ' 9' ' ' ARG . 65.4 m-85 -68.45 136.74 53.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 73.35 109.876 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -119.33 -19.94 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 60.04 110.454 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 37.8 m-20 -145.2 129.71 17.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 75.14 110.381 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 120.01 7.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.474 -0.766 . . . . 73.12 110.174 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.7 p90 -146.95 163.18 36.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.22 -0.925 . . . . 75.23 109.961 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 58.7 t -124.69 151.75 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 75.22 110.473 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.55 115.58 30.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 42.31 110.152 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 33.9 t -106.98 128.08 26.78 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 63.21 110.319 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.3 Cg_exo -64.24 126.33 16.87 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.84 1.442 . . . . 55.12 110.367 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.63 13.81 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.971 -1.252 . . . . 63.22 109.971 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 29.0 mt-10 -119.17 161.04 21.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.136 -1.214 . . . . 62.12 109.891 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 145.29 37.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 55.24 110.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -62.31 125.92 25.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.946 . . . . 71.11 110.37 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.541 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 2.0 t80 -94.35 128.06 40.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 73.14 109.976 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 21.2 p90 -76.41 137.17 39.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.917 . . . . 73.23 110.596 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.626 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -93.91 -37.62 11.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 72.13 109.947 179.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 101' ' ' MET . 26.0 mt -111.98 -46.59 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 75.13 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 1.7 ttpt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.296 -0.877 . . . . 73.45 110.208 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.493 -1.443 . . . . 74.32 109.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -147.99 27.57 0.96 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -1.138 . . . . 73.32 110.257 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 -36.36 69.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 73.24 109.818 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -64.9 -48.2 75.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 72.24 109.863 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.35 -31.35 67.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.931 . . . . 73.31 109.86 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.9 -41.54 98.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.393 -0.817 . . . . 74.24 109.767 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -36.4 52.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.886 . . . . 75.24 109.669 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -56.04 -51.89 66.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 72.31 110.483 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 2.5 ptt180 -59.84 -37.94 80.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.129 -0.982 . . . . 74.21 109.897 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 13' ' ' MET . . . -65.25 -47.53 76.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 41.45 109.743 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.755 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -66.65 -30.82 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 73.31 109.78 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.4 -44.92 95.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 75.13 110.253 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.535 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.8 ptp -72.54 -30.69 64.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.912 . . . . 50.32 109.964 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' MET . 37.1 t -72.11 -40.73 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.861 . . . . 54.13 110.614 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB2' HD12 ' A' ' 36' ' ' LEU . 2.4 pp20? -78.19 -21.05 50.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 74.33 110.613 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 27.0 pttt -96.76 -15.03 21.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.12 -0.987 . . . . 74.41 110.411 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 120.71 6.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 71.34 110.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -65.5 -26.1 67.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 64.44 110.381 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 42.5 m-20 -72.04 -44.03 64.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.172 -0.955 . . . . 74.44 110.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.3 -35.62 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 72.32 110.268 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' GLN . 17.0 ttm180 -52.13 -35.79 49.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.116 -0.99 . . . . 73.45 110.128 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.09 91.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 72.15 110.081 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD11 ' CG ' ' A' ' 111' ' ' TYR . 32.1 mt -73.1 -46.46 51.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 74.25 109.476 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -88.21 5.64 40.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.621 -0.674 . . . . 72.52 110.125 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 21' ' ' ARG . 40.1 mt-30 48.74 30.45 2.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.127 -0.983 . . . . 73.32 109.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 36' ' ' LEU . 1.1 t -68.27 178.82 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.29 -0.881 . . . . 65.23 110.357 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -136.77 168.49 19.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 54.53 110.187 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 17.3 t0 -179.22 94.96 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.287 -0.883 . . . . 54.21 110.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' O ' ' HE2' ' A' ' 33' ' ' LYS . . . -137.17 156.57 23.44 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.563 -1.415 . . . . 72.13 109.563 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.23 -28.19 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -1.151 . . . . 64.33 110.043 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 t -79.22 -20.99 46.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 75.52 110.106 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -177.83 134.15 2.37 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.637 -1.385 . . . . 73.13 109.637 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -122.96 143.84 49.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -1.156 . . . . 70.15 110.249 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 13.7 tp10 -73.15 143.14 47.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 62.14 109.927 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -115.1 117.18 29.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 54.03 110.248 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.785 HD11 ' SG ' ' A' ' 26' ' ' CYS . 27.9 mt -109.77 146.92 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.828 . . . . 74.1 110.236 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 141.51 46.96 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.276 -0.89 . . . . 72.1 109.736 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -144.8 158.48 43.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 70.45 110.9 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 9.1 p90 -144.04 157.34 44.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 63.44 109.759 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' HA2' ' CB ' ' A' ' 72' ' ' PHE . . . -74.49 -168.26 19.6 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.787 -1.325 . . . . 72.34 109.787 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 11.0 mt-10 -80.69 134.47 35.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.478 -1.013 . . . . 74.23 110.355 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 1.2 mt 169.64 129.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.298 -0.876 . . . . 71.34 110.151 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.7 pp -43.21 149.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 73.51 109.912 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 45' ' ' ASN . 10.6 t -169.94 -33.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 64.32 110.636 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 6.1 t30 59.4 112.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.92 . . . . 75.45 109.646 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 1.5 p30 41.3 -160.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 74.53 110.295 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 55.62 -160.74 0.18 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 71.33 109.92 -179.656 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.98 -79.51 0.61 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.052 -1.03 . . . . 75.52 110.269 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 50' ' ' ARG . 15.3 t -178.5 -38.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.142 -0.974 . . . . 63.51 110.276 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' N ' HG23 ' A' ' 49' ' ' THR . 1.4 mtt180 57.35 -125.37 1.75 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.364 -0.835 . . . . 74.11 110.356 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 8.7 p-10 -81.27 76.87 8.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.961 -1.087 . . . . 74.52 110.802 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 0.0 OUTLIER -124.92 125.02 25.44 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.935 . . . . 61.44 109.767 179.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.21 159.55 53.36 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 O-C-N 123.87 1.458 . . . . 74.02 110.708 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ILE . 24.7 mm -111.27 137.76 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 64.12 110.06 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.0 t -97.36 142.29 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 70.11 110.2 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 m -121.41 145.83 47.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.211 -0.93 . . . . 73.05 110.118 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 33.8 p -99.93 145.66 27.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.316 -0.865 . . . . 64.22 110.342 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -133.8 126.37 30.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.304 -0.873 . . . . 73.14 110.138 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.95 141.96 30.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.871 . . . . 75.22 110.042 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -113.75 143.04 45.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.007 . . . . 45.33 110.462 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.72 -170.74 2.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.24 -0.912 . . . . 74.21 110.037 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 2.4 tmtt? -62.57 -19.7 63.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -0.915 . . . . 73.34 110.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 1.7 mm-40 -87.78 -8.03 56.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 63.31 110.278 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.0 80.87 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.741 -1.344 . . . . 63.15 109.741 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.4 ttt180 -67.85 121.68 16.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -1.206 . . . . 75.34 110.035 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 2.3 m -82.23 131.13 35.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 61.15 110.598 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -113.75 142.44 46.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 70.41 109.731 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -120.08 142.71 48.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.087 -1.008 . . . . 73.42 110.612 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB2' ' OG1' ' A' ' 57' ' ' THR . 72.6 m-85 -126.38 125.87 42.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 65.45 109.96 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.496 ' CE ' ' HB2' ' A' ' 7' ' ' PHE . 2.7 ttt -134.53 137.88 44.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.218 -0.926 . . . . 75.31 110.45 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HG2' ' ND1' ' A' ' 84' ' ' HIS . 3.9 mtt180 -138.41 142.78 39.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.882 . . . . 74.25 109.974 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.633 ' HE1' HG23 ' A' ' 11' ' ' VAL . 19.7 p90 -152.62 155.18 36.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 65.42 110.403 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.854 ' CD2' HD13 ' A' ' 82' ' ' LEU . 23.6 m170 -101.01 160.02 14.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.216 -0.927 . . . . 65.4 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.1 t -129.18 148.95 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.839 . . . . 72.33 109.895 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG2' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -127.68 117.82 22.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 74.13 110.736 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.581 ' OG ' HD22 ' A' ' 36' ' ' LEU . 2.3 t -114.13 175.24 5.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.378 -0.827 . . . . 65.14 110.203 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HE2' ' HE2' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -77.23 -15.91 59.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.301 -0.874 . . . . 75.24 110.052 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -93.29 -28.56 16.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.304 -0.873 . . . . 64.21 109.952 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 173.1 -174.58 0.05 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 74.42 110.05 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 mp -115.24 142.44 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 74.42 110.25 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.1 157.98 40.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 75.24 110.403 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.854 HD13 ' CD2' ' A' ' 73' ' ' HIS . 12.2 tp -113.99 133.05 55.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 71.23 109.465 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.542 ' CG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.4 t -120.76 126.32 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 72.23 111.146 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.512 ' ND1' ' HG2' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -124.22 128.34 49.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.824 . . . . 73.4 109.222 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 4.2 pp -128.66 148.05 50.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 60.23 111.361 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 3.2 mt-10 -119.46 131.06 55.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 73.22 109.221 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -121.01 153.12 37.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 75.21 111.2 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -129.05 144.25 51.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.696 -0.628 . . . . 61.43 109.381 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 7.4 pt-20 -85.71 139.76 31.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 61.05 110.449 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.0 m -118.66 133.24 56.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.395 -0.815 . . . . 62.45 109.666 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 67.9 -148.68 0.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.141 -0.974 . . . . 71.22 109.927 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -58.98 -171.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.043 -1.035 . . . . 73.22 110.373 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 65.59 0.69 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 75.43 110.419 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.63 -157.31 0.52 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 65.24 110.289 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.53 128.51 83.89 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 75.52 110.233 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -61.65 153.89 64.0 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 123.89 1.468 . . . . 65.41 110.156 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -120.39 126.58 50.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.115 -0.991 . . . . 63.32 110.344 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 85' ' ' LEU . 22.8 m-85 -60.18 139.07 57.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 65.34 110.047 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.48 -23.06 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 64.55 110.016 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -147.54 129.59 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 70.23 109.733 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.929 ' HB2' HD12 ' A' ' 114' ' ' ILE . 15.6 ttt -148.81 131.91 16.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.057 -1.027 . . . . 73.33 110.985 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 24.4 p90 -148.54 155.3 40.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 72.52 109.903 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 p -120.87 142.24 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.043 -1.036 . . . . 73.54 110.469 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.1 114.97 29.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 72.23 109.891 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.74 130.66 22.68 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.226 -0.921 . . . . 74.22 109.979 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -67.18 126.52 15.2 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 123.823 1.433 . . . . 73.22 110.484 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.85 -18.7 24.96 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.178 -1.169 . . . . 70.33 110.178 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.78 163.31 15.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.046 -1.267 . . . . 53.32 110.485 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.75 127.55 32.63 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.83 . . . . 75.41 110.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 138.73 29.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.179 -0.951 . . . . 72.51 110.039 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.3 t80 -117.86 129.07 55.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.268 -0.895 . . . . 73.04 110.262 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 16.1 p90 -82.35 141.37 32.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.9 . . . . 73.25 110.239 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.72 -27.56 12.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 64.51 110.236 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.929 HD12 ' HB2' ' A' ' 101' ' ' MET . 42.3 mt -111.75 -47.42 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 74.45 110.544 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 72.1 110.25 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.566 -1.414 . . . . 50.32 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 69.4 p -169.32 -60.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -1.13 . . . . 54.34 110.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' OD2' ' O ' ' A' ' 54' ' ' ILE . 1.7 p30 -60.05 -36.64 77.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 52.15 110.231 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.1 m -54.06 -51.96 62.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 50.43 110.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -55.76 -30.46 61.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 63.24 109.91 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -40.48 96.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.869 . . . . 72.44 110.232 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.67 -36.68 60.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -0.848 . . . . 71.31 109.836 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.14 -45.85 75.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.857 . . . . 63.31 110.432 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.7 ptm180 -74.33 -35.46 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.924 . . . . 70.41 110.484 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -65.1 -41.19 95.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 71.0 110.219 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.883 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -71.29 -33.92 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.221 -0.925 . . . . 75.41 110.126 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -52.63 -49.09 65.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.314 -0.866 . . . . 64.21 110.289 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 3.5 ppp? -71.72 -29.57 64.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.291 -0.881 . . . . 74.34 110.083 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 83' ' ' VAL . 19.8 t -74.67 -44.05 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 64.32 110.488 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -77.53 -22.64 50.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.16 -0.963 . . . . 74.44 110.346 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -97.24 -14.84 21.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 75.44 110.107 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.92 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.1 t30 -46.82 121.68 3.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 61.11 110.392 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.54 -31.1 72.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.953 . . . . 54.53 110.099 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.68 -42.16 78.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 73.5 110.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.57 -33.95 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 75.52 110.201 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.5 mtp-105 -55.06 -36.79 65.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 71.01 110.184 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -36.56 84.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 71.1 110.02 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -73.66 -42.57 61.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.208 -0.933 . . . . 74.15 109.75 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 2.4 mm? -78.98 -10.0 59.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 63.42 110.507 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' CYS . 26.0 mt-30 55.5 33.55 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -0.954 . . . . 74.13 109.682 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' LEU . 98.9 m -56.44 -157.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.367 -0.833 . . . . 75.22 110.608 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' H ' ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -159.26 171.76 19.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.89 . . . . 75.12 110.161 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 18.9 p-10 -170.46 99.56 0.26 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.225 -0.922 . . . . 75.13 110.292 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -156.75 165.65 33.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.764 -1.334 . . . . 32.22 109.764 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 tp -65.1 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.293 -1.122 . . . . 74.44 110.377 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 31' ' ' THR . 3.2 t -97.28 -19.96 18.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.22 -0.925 . . . . 53.32 110.396 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.84 118.75 0.84 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.941 -1.264 . . . . 62.11 109.941 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -118.49 130.24 55.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 74.03 109.781 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -73.13 136.97 44.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.155 -0.965 . . . . 63.3 110.588 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 122.12 31.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.392 -0.818 . . . . 73.01 109.702 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 76' ' ' SER . 72.6 mt -109.56 143.12 39.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.098 -1.001 . . . . 63.24 110.926 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.88 129.56 38.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.429 -0.794 . . . . 41.2 109.698 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.883 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -120.49 163.86 17.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 74.11 110.518 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 6.2 p90 -159.36 171.29 20.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.301 -0.875 . . . . 71.22 109.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' A' ' 41' ' ' GLU . . . -112.86 169.83 13.15 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.245 -1.542 . . . . 62.25 109.245 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 1.8 mt-10 -132.57 -155.59 0.69 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.404 -1.056 . . . . 74.11 110.302 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 54.68 96.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 72.14 110.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.8 pt -115.96 -171.78 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 53.31 110.178 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 44' ' ' THR . 97.4 m -107.56 73.09 0.89 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 71.02 109.988 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 177.62 172.9 0.56 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.248 -0.908 . . . . 72.54 109.624 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.64 22.21 9.31 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.439 -0.788 . . . . 33.42 110.315 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -98.44 -160.01 0.78 Allowed 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.343 0.592 . . . . 75.13 110.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.561 ' C ' HG22 ' A' ' 49' ' ' THR . 5.4 m95 -101.72 -58.57 1.86 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.433 -0.792 . . . . 75.4 109.54 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.561 HG22 ' C ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 171.16 148.24 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.522 -0.736 . . . . 73.43 109.95 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.41 57.51 1.06 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 70.51 109.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.43 33.0 18.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.302 -0.874 . . . . 72.35 109.915 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 157.93 85.18 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 70.34 110.116 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.5 159.5 53.38 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 O-C-N 124.105 1.582 . . . . 40.42 110.737 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' ' OD2' ' A' ' 3' ' ' ASP . 19.8 mm -85.98 139.96 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.397 -0.815 . . . . 73.1 109.509 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.89 143.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.257 -0.902 . . . . 64.45 110.154 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -123.98 151.84 43.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.457 -0.777 . . . . 62.43 110.608 -179.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -100.02 147.36 25.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 71.54 110.309 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 127.27 36.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 72.51 110.047 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -141.85 125.42 16.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 74.23 110.185 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -102.98 139.3 38.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 72.43 110.301 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -92.52 -172.2 3.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.926 . . . . 71.14 110.223 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -65.25 -10.95 36.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.247 -0.908 . . . . 63.3 110.065 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' A' ' 62' ' ' LYS . 76.9 mt-10 -86.27 -13.84 45.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 72.42 110.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.22 66.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.558 -1.417 . . . . 72.33 109.558 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -94.71 126.58 40.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -1.187 . . . . 74.44 110.172 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 23.0 m -93.64 141.04 28.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.289 -0.882 . . . . 72.52 110.304 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -105.56 146.2 29.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 71.23 109.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 56' ' ' SER . 63.7 t-80 -117.2 136.13 53.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 72.45 110.286 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 74.5 m-85 -125.95 119.65 28.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 74.12 110.034 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.445 ' HE2' HG21 ' A' ' 54' ' ' ILE . 12.4 ttt -137.77 140.51 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.175 -0.953 . . . . 64.25 110.158 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -149.88 149.47 30.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 72.43 110.714 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.625 ' CE2' HG23 ' A' ' 11' ' ' VAL . 7.2 p90 -150.14 156.97 42.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.385 -0.822 . . . . 71.44 109.819 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' CE1' HD11 ' A' ' 82' ' ' LEU . 17.2 m-70 -92.3 154.6 18.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 74.54 110.495 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.701 HG22 ' HB2' ' A' ' 38' ' ' ALA . 19.2 t -126.62 131.21 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 72.33 109.85 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.02 123.95 47.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 63.42 110.355 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 36' ' ' LEU . 1.2 t -109.21 170.38 8.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 42.45 110.097 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -76.28 -16.43 59.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 62.51 110.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -29.17 11.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 54.44 110.34 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -170.09 -164.26 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.013 . . . . 75.33 110.478 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.05 141.75 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 64.24 109.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.88 157.23 45.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 42.54 110.44 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' NE2' ' A' ' 84' ' ' HIS . 0.5 OUTLIER -114.91 137.95 51.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.39 -0.819 . . . . 52.22 109.831 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 14' ' ' VAL . 44.8 t -114.88 130.15 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.154 -0.966 . . . . 74.33 110.772 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.625 ' NE2' HD22 ' A' ' 82' ' ' LEU . 26.2 m-70 -128.99 124.3 34.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 72.42 109.491 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 101' ' ' MET . 2.7 pp -130.62 150.15 51.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.086 -1.009 . . . . 61.04 111.051 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG3' ' CD1' ' A' ' 69' ' ' TYR . 1.2 mp0 -121.46 136.51 54.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.536 -0.727 . . . . 72.5 109.362 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.776 ' HB2' ' HD2' ' A' ' 98' ' ' PHE . . . -135.82 150.92 49.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.886 -1.134 . . . . 65.02 111.1 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 144.0 48.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.565 -0.71 . . . . 55.43 109.394 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -94.84 133.03 38.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.095 -1.003 . . . . 73.52 110.979 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 92' ' ' GLN . 4.0 m -86.66 152.04 22.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.514 -0.741 . . . . 74.43 109.422 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -36.02 -29.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.518 -0.739 . . . . 73.34 110.857 -179.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 90' ' ' SER . 28.8 tt0 -56.08 165.26 1.02 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 70.33 110.048 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 92' ' ' GLN . 11.4 t30 -102.08 54.76 0.8 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 71.32 110.443 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.432 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -130.36 -159.39 0.96 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.143 -0.973 . . . . 62.21 110.455 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -79.02 148.24 71.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.343 -0.848 . . . . 64.42 110.253 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.37 148.14 48.28 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 O-C-N 124.099 1.578 . . . . 74.32 110.257 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.07 128.17 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.927 . . . . 73.15 110.183 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.776 ' HD2' ' HB2' ' A' ' 87' ' ' ALA . 25.7 m-85 -59.03 138.35 57.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 75.42 110.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 99' ' ' ILE . 1.3 pt -118.97 -20.78 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 53.13 109.817 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 86' ' ' GLU . 28.4 m-20 -141.6 130.0 22.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.356 -0.84 . . . . 75.13 109.883 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.803 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.92 118.53 6.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 61.45 110.621 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 44.8 p90 -147.43 158.28 43.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 74.43 109.863 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 28.5 t -122.49 150.85 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.089 -1.007 . . . . 74.11 110.5 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 13.9 t0 -112.65 118.52 35.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.886 . . . . 74.24 109.936 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 40.2 t -110.1 124.93 32.18 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 74.21 110.267 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 17.1 Cg_exo -63.13 127.2 19.61 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.891 1.469 . . . . 63.34 110.424 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.65 -20.3 24.26 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.744 -1.342 . . . . 74.32 109.744 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.444 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 56.5 mm-40 -118.77 156.33 29.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -1.149 . . . . 61.33 110.053 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 133.1 42.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.973 . . . . 72.31 109.927 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 10.2 ptp180 -61.07 143.54 55.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 72.41 110.335 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -120.42 133.24 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.397 -0.814 . . . . 73.12 110.357 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 33.5 m-85 -79.72 147.07 32.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 73.12 110.28 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.92 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.67 -41.02 6.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.246 -0.909 . . . . 64.43 110.493 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 101' ' ' MET . 61.1 mt -107.46 -68.4 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 73.32 110.417 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 114' ' ' ILE . 4.6 pttp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.497 -0.752 . . . . 74.45 110.805 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' C ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 50.32 109.527 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' OG ' ' C ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER 54.44 17.7 1.68 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.238 -1.154 . . . . 54.34 110.25 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 1.9 p30 -76.84 -30.26 56.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 52.15 110.364 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -56.65 -45.98 81.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.218 -0.926 . . . . 50.43 110.355 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.05 -32.65 71.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.173 -0.954 . . . . 63.24 110.493 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.27 -40.8 95.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.153 -0.967 . . . . 72.44 110.199 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -35.76 57.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 71.31 109.761 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -56.86 -51.72 67.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 63.31 110.356 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 4.9 ptm180 -66.41 -32.0 73.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 70.41 109.948 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -67.56 -50.96 56.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.419 -0.8 . . . . 71.0 109.494 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.999 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -65.19 -34.69 72.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 75.41 109.857 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 21.0 t -62.56 -46.94 86.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.387 -0.821 . . . . 64.21 110.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.556 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.21 -29.83 64.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -0.969 . . . . 74.34 110.02 179.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 10' ' ' ALA . 72.3 t -72.12 -40.7 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 64.32 110.555 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 1.016 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.3 pp20? -77.08 -19.97 56.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.003 . . . . 74.44 110.363 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -100.07 -16.12 17.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.139 -0.976 . . . . 75.44 110.401 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' MET . 2.6 t30 -53.95 121.68 8.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 61.11 110.207 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -42.55 67.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.204 -0.935 . . . . 54.53 110.181 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 9.3 m-20 -61.65 -43.84 98.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 73.5 110.197 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 111' ' ' TYR . 51.5 mm -74.67 -35.63 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 75.52 109.994 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -50.95 -41.4 59.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 71.01 109.751 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.5 70.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.852 . . . . 71.1 109.95 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 19' ' ' ASP . 11.5 mt -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.301 -0.874 . . . . 74.15 109.8 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 1.8 mm? -84.77 -10.03 57.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.344 -0.848 . . . . 63.42 110.184 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 53.66 41.9 31.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.27 -0.894 . . . . 74.13 110.014 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.1 -168.35 1.31 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.33 -0.856 . . . . 75.22 110.27 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 3.6 m-20 -93.69 169.24 10.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.91 . . . . 75.12 110.182 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-20 176.9 86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.362 -0.836 . . . . 75.13 110.276 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 33' ' ' LYS . . . -125.73 149.26 17.21 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.251 -1.539 . . . . 32.22 109.251 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.728 ' C ' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.68 -27.67 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -1.166 . . . . 74.44 110.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -89.21 -12.42 40.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 53.32 110.536 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.41 125.59 1.0 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.753 -1.339 . . . . 62.11 109.753 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.72 161.99 19.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -1.063 . . . . 74.03 109.778 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -72.8 143.14 48.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.149 -0.97 . . . . 63.3 109.451 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -92.34 114.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.01 110.817 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.016 HD12 ' HB2' ' A' ' 15' ' ' GLU . 25.0 mt -109.73 147.34 33.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.44 -0.787 . . . . 63.24 109.336 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 131.15 55.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 41.2 111.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.999 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -137.8 151.87 48.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.731 -0.606 . . . . 74.11 109.569 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.3 p90 -157.29 167.22 30.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.024 -1.048 . . . . 71.22 110.431 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 54' ' ' ILE . . . -118.82 149.56 18.19 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.194 -1.563 . . . . 62.25 109.194 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -151.84 165.46 34.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.293 -1.122 . . . . 74.11 110.548 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.75 HD13 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -140.89 -178.64 5.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 72.14 110.026 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -57.28 161.55 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 53.31 110.491 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 43' ' ' ILE . 15.3 m -170.22 -37.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.643 -0.661 . . . . 71.02 109.559 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 44' ' ' THR . 48.4 p30 -179.07 -132.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.412 -0.805 . . . . 72.54 109.795 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -107.14 22.53 15.84 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.009 -1.057 . . . . 33.42 110.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' C ' ' CG ' ' A' ' 48' ' ' TRP . 2.5 mmmt -114.36 -151.96 0.49 Allowed 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.806 -0.559 . . . . 75.13 110.398 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CG ' ' C ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -174.15 -33.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.338 -0.851 . . . . 75.4 110.147 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' O ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -62.33 -141.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 73.43 110.125 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 49' ' ' THR . 18.2 mmt180 56.92 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 70.51 110.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASN . 15.4 p-10 -80.41 108.21 13.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.136 -0.978 . . . . 72.35 110.516 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -105.52 164.67 14.57 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 70.34 109.879 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 52' ' ' ARG . 20.9 Cg_endo -63.46 160.06 37.43 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 123.872 1.459 . . . . 40.42 109.532 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.701 HG21 ' CE ' ' A' ' 70' ' ' MET . 25.8 mm -94.52 131.31 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.918 . . . . 73.1 110.576 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.75 HG12 HD13 ' A' ' 42' ' ' LEU . 8.2 p -103.21 151.99 6.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.363 -0.836 . . . . 64.45 109.843 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 150.46 50.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 62.43 110.758 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 45.1 p -101.37 146.05 28.1 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.355 -0.841 . . . . 71.54 109.67 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 6.7 ptpt -129.22 124.65 35.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 72.51 110.722 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -123.87 134.93 53.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 74.23 109.558 179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -121.69 136.89 54.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.992 . . . . 72.43 110.727 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.14 -164.15 1.12 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.576 -0.703 . . . . 71.14 109.784 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -15.7 63.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 63.3 110.092 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -87.21 -13.71 43.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 72.42 110.224 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.62 -0.15 79.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.675 -1.37 . . . . 72.33 109.675 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.3 tpp180 -67.92 125.41 26.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.177 -1.19 . . . . 74.44 110.002 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 7.3 m -97.8 129.51 44.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 72.52 110.645 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -105.93 136.72 45.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 71.23 109.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' A' ' 66' ' ' THR . 15.6 m170 -118.2 142.51 47.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 72.45 110.787 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' CE1' ' OE2' ' A' ' 86' ' ' GLU . 70.1 m-85 -124.95 121.29 34.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.337 -0.852 . . . . 74.12 109.693 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.701 ' CE ' HG21 ' A' ' 54' ' ' ILE . 2.6 ttt -135.07 144.16 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.093 -1.004 . . . . 64.25 110.609 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.8 143.62 25.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.353 -0.842 . . . . 72.43 110.156 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 11' ' ' VAL . 10.1 p90 -147.62 152.47 37.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 71.44 110.097 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.505 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 21.2 m170 -90.06 155.76 18.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 74.54 110.451 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 38' ' ' ALA . 10.6 t -128.92 130.83 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -0.867 . . . . 72.33 109.988 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.94 128.8 54.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.174 -0.954 . . . . 63.42 110.358 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.521 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.6 172.14 7.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 42.45 110.092 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -13.69 59.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 62.51 110.213 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -106.76 -28.83 9.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.302 -0.874 . . . . 54.44 110.534 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -170.75 -168.19 0.65 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 75.33 110.547 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.67 144.5 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.312 -0.868 . . . . 64.24 109.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.02 157.82 43.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 42.54 110.568 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -114.9 135.96 53.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.38 -0.825 . . . . 52.22 109.484 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.61 ' CG1' ' HE2' ' A' ' 101' ' ' MET . 41.6 t -118.4 127.22 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 74.33 111.026 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 1.3 m-70 -123.21 132.88 54.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 72.42 109.598 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.6 pp -141.74 153.89 44.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.98 -1.075 . . . . 61.04 111.107 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' OE1' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -130.1 126.87 38.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.484 -0.76 . . . . 72.5 109.311 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 98' ' ' PHE . . . -111.17 150.64 29.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 65.02 110.92 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 99' ' ' ILE . 16.3 ttpt -134.66 138.56 44.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.582 -0.699 . . . . 55.43 109.612 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -99.1 132.44 44.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 73.52 110.299 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.8 p -117.83 150.92 38.35 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.269 -0.894 . . . . 74.43 110.135 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 68.69 -150.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.275 -0.891 . . . . 73.34 109.867 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -54.8 -163.51 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 70.33 110.453 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.75 41.53 0.73 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.18 -0.95 . . . . 71.32 110.632 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.75 -172.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 62.21 110.032 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 95' ' ' GLN . 29.5 pt20 -73.18 133.39 81.31 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 64.42 110.038 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -50.8 147.87 17.52 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 123.83 1.437 . . . . 74.32 110.175 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.76 125.51 54.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 73.15 110.429 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 85' ' ' LEU . 73.7 m-85 -59.53 134.67 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 75.42 109.76 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.5 pt -121.77 -15.68 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.183 -0.948 . . . . 53.13 110.56 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 56.5 m-80 -155.89 131.7 9.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 75.13 110.483 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.61 ' HE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -148.63 127.22 12.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 61.45 110.325 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 21.6 p90 -147.23 149.69 33.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.226 -0.921 . . . . 74.43 110.372 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 82' ' ' LEU . 9.1 p -120.94 150.04 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.203 -0.936 . . . . 74.11 110.386 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.44 117.01 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.356 -0.84 . . . . 74.24 110.224 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 108' ' ' GLU . 2.4 p -116.19 131.21 23.9 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 74.21 110.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 14.1 Cg_exo -64.5 132.38 33.1 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 123.89 1.468 . . . . 63.34 110.742 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.22 21.51 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.105 -1.198 . . . . 74.32 110.105 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 105' ' ' VAL . 2.3 mt-10 -118.88 164.37 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.073 -1.251 . . . . 61.33 110.373 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.7 129.57 34.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 72.31 110.257 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -52.63 139.83 24.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 72.41 110.253 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 11.8 t80 -117.6 126.32 52.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.359 -0.838 . . . . 73.12 109.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 115' ' ' LYS . 32.9 m-85 -76.88 137.39 39.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 73.12 110.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -92.35 -37.74 12.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 64.43 110.093 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 54.8 mt -116.87 -51.84 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 73.32 110.193 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 74.45 110.154 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.48 -1.448 . . . . 32.1 109.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.67 -3.35 9.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -1.152 . . . . 54.23 109.988 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 4' ' ' THR . 1.7 p30 -56.39 -33.43 65.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 54.31 110.1 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.506 ' N ' ' OD2' ' A' ' 3' ' ' ASP . 19.5 m -58.62 -44.42 89.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 65.32 109.869 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -67.76 -35.26 78.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 65.14 109.721 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 68.8 mt -61.58 -38.8 88.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 63.34 109.974 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -74.07 -35.25 64.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.268 -0.895 . . . . 64.43 109.479 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' SER . 7.1 m-20 -62.43 -51.58 66.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 70.2 110.176 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 10.0 ptm180 -68.18 -41.65 81.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.164 -0.96 . . . . 73.32 109.914 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -59.59 -49.24 78.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 73.22 109.822 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.56 -36.52 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.251 -0.906 . . . . 72.2 109.986 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -57.32 -51.05 70.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 75.01 109.929 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.532 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 6.3 ptt? -65.32 -31.73 73.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.276 -0.89 . . . . 64.54 109.835 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 10' ' ' ALA . 75.7 t -73.97 -35.67 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 64.32 110.442 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HB2' HD12 ' A' ' 36' ' ' LEU . 8.7 pt-20 -80.65 -21.04 41.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 71.4 110.678 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 6.9 ptmm? -98.57 -17.02 18.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 73.31 110.406 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' OD1' HD11 ' A' ' 113' ' ' LEU . 2.0 t30 -47.84 119.48 2.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 61.4 110.022 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.7 pttm -58.01 -38.11 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 75.1 110.185 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.49 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 21.5 m-20 -57.51 -49.53 76.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.915 . . . . 71.22 109.531 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 111' ' ' TYR . 46.8 mm -67.49 -33.94 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.891 . . . . 71.41 109.433 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 1.7 ttt85 -52.65 -35.52 55.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.448 -0.782 . . . . 72.02 109.457 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -64.53 -40.35 95.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 72.31 109.763 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 111' ' ' TYR . 58.5 mt -71.97 -42.31 66.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 62.41 109.319 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.48 -10.16 59.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.521 -0.737 . . . . 53.41 110.184 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 15.7 mt-30 51.29 30.09 5.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 72.33 109.815 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' HB3' HD12 ' A' ' 24' ' ' LEU . 27.3 p -89.17 -157.44 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.35 -0.844 . . . . 72.55 110.493 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 1.1 m-20 -128.03 168.73 14.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 65.44 110.098 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 25.4 t0 -178.14 88.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.348 -0.845 . . . . 61.44 110.088 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 159.39 27.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.674 -1.37 . . . . 70.41 109.674 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -21.51 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -1.127 . . . . 63.31 110.092 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 t -80.99 -20.0 42.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 74.11 110.048 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 33' ' ' LYS . . . 169.38 138.73 2.55 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.29 -1.524 . . . . 63.2 109.29 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -125.73 149.35 48.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.072 -1.252 . . . . 73.33 110.466 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 2.2 tp10 -73.68 143.13 46.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 71.1 109.903 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -109.71 123.19 49.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 73.52 110.6 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.5 mt -109.66 147.73 32.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.485 -0.759 . . . . 61.21 109.946 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -113.37 133.87 54.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.39 -0.819 . . . . 62.53 110.999 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -140.09 136.23 33.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.576 -0.703 . . . . 61.54 109.591 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.6 p90 -135.28 165.2 25.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.121 -0.987 . . . . 64.34 110.639 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -72.76 -135.92 0.22 Allowed Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.557 -1.417 . . . . 54.4 109.557 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 179.33 5.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.263 -1.139 . . . . 74.35 110.328 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.37 106.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 74.03 110.277 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 1.1 pp -133.1 171.21 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.236 -0.915 . . . . 72.25 110.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.6 t -171.46 29.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.37 -0.831 . . . . 75.44 110.064 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -90.75 -151.85 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 43.44 110.292 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' OD1' ' HB ' ' A' ' 49' ' ' THR . 26.0 p-10 -106.4 -139.94 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 53.35 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 pttm -56.31 -144.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.605 0.716 . . . . 74.43 111.426 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 m-90 -32.98 -42.57 0.08 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.562 -0.711 . . . . 74.43 112.118 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.497 ' HB ' ' OD1' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -44.04 130.82 5.98 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.823 -1.173 . . . . 71.22 109.715 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -151.25 29.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.083 -1.011 . . . . 73.22 110.65 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.192 -0.943 . . . . 64.43 110.068 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.24 153.01 45.59 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 54.2 110.372 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HD2' ' HG3' ' A' ' 52' ' ' ARG . 38.2 Cg_endo -73.79 159.27 45.62 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.062 1.559 . . . . 74.33 110.283 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 21.8 mm -115.39 138.16 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.376 -0.827 . . . . 73.25 110.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -101.38 151.4 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 62.1 110.095 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.3 p -129.19 151.45 49.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 64.4 110.462 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 29.1 p -105.82 146.55 29.75 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.49 -0.756 . . . . 75.21 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -135.21 127.11 29.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.03 110.407 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -136.14 125.06 24.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 70.31 109.923 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -111.25 136.76 49.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.214 -0.929 . . . . 73.54 110.351 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.82 -165.19 1.29 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.891 . . . . 70.41 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -9.54 52.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 64.1 110.271 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -88.17 -12.42 43.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 64.03 110.346 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.77 15.52 65.4 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.69 -1.364 . . . . 51.3 109.69 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 11.2 ttm180 -97.28 122.42 40.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -1.169 . . . . 71.13 110.133 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m -93.9 134.78 35.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 64.12 110.415 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.44 ' NE2' ' CD ' ' A' ' 65' ' ' ARG . 36.1 m80 -109.02 149.05 29.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 72.4 109.885 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -120.77 137.94 54.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.214 -0.928 . . . . 72.03 110.731 -179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 48.5 m-85 -127.18 125.86 41.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 74.31 109.592 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.467 ' C ' ' HG3' ' A' ' 71' ' ' ARG . 5.6 ttm -141.24 147.85 38.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.002 . . . . 63.32 110.762 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' NE ' ' CE1' ' A' ' 84' ' ' HIS . 48.2 mtt180 -147.64 144.36 28.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.401 -0.812 . . . . 74.52 109.899 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -148.81 157.15 43.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -0.955 . . . . 73.42 109.94 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -98.5 150.11 22.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -0.883 . . . . 75.43 109.731 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG13 ' HB2' ' A' ' 38' ' ' ALA . 13.8 t -124.22 138.39 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 62.42 110.46 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.66 119.7 34.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.267 -0.895 . . . . 60.24 110.243 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 53.5 p -111.15 172.99 6.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.915 . . . . 74.54 110.29 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.44 -14.37 60.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 72.32 110.276 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.65 -27.83 12.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -0.882 . . . . 50.31 110.389 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -173.91 -159.65 0.1 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.254 -0.904 . . . . 73.5 110.254 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 74' ' ' VAL . 4.8 mt -132.41 142.49 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 60.14 109.952 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -136.89 154.68 50.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 43.34 110.758 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 8.7 tt -115.1 138.16 51.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 71.53 109.616 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HG22 ' A' ' 103' ' ' VAL . 12.3 t -104.92 138.01 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.092 -1.005 . . . . 74.32 111.213 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.605 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.79 117.89 20.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.547 -0.72 . . . . 63.32 109.547 179.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 85' ' ' LEU . 2.6 pp -132.12 153.38 50.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.977 -1.077 . . . . 74.14 110.975 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' O ' HG12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -132.05 119.16 20.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.408 -0.807 . . . . 73.32 109.512 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -118.97 148.82 42.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.948 . . . . 74.4 110.549 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' ' OD2' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -134.47 143.09 47.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.38 -0.825 . . . . 62.22 110.163 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -102.39 139.54 37.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 74.11 110.098 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' LYS . 30.8 p -126.77 146.52 50.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.172 -0.955 . . . . 72.21 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 0.4 OUTLIER 59.7 127.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.341 -0.849 . . . . 75.42 110.417 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 2.7 pt20 38.64 -158.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.671 -0.643 . . . . 65.04 110.538 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -101.09 47.37 0.91 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.247 -0.908 . . . . 64.02 110.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' CE2' ' NE2' ' A' ' 95' ' ' GLN . 0.9 OUTLIER -63.32 175.5 0.97 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 72.33 110.027 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' NE2' ' CE2' ' A' ' 94' ' ' TYR . 2.2 mp0 -72.1 130.96 85.78 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.229 -0.919 . . . . 73.23 110.093 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -60.66 145.01 99.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.886 1.466 . . . . 75.04 110.126 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.0 p-10 -112.12 141.93 45.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -0.937 . . . . 73.23 109.975 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -72.1 131.54 42.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 61.25 110.473 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 86' ' ' GLU . 2.6 pt -114.34 -19.45 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.817 . . . . 55.31 109.549 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 31.3 m-20 -147.43 129.9 15.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 75.42 109.813 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -147.54 117.47 7.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.931 . . . . 70.14 110.203 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 84' ' ' HIS . 7.6 p90 -145.23 153.36 41.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.215 -0.928 . . . . 73.4 110.272 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 82' ' ' LEU . 74.4 t -122.88 148.91 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 64.45 110.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 125.08 53.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.96 . . . . 74.04 110.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 t -123.55 129.6 24.8 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.255 -0.903 . . . . 73.34 110.174 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 20.6 Cg_endo -65.89 127.72 18.36 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.885 1.466 . . . . 72.22 110.211 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.3 -19.35 39.98 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.312 -1.515 . . . . 64.02 109.312 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -115.2 169.98 8.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -1.12 . . . . 73.23 110.049 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -93.27 143.64 26.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 72.24 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.8 133.77 55.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.216 -0.927 . . . . 74.52 110.243 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -118.39 128.45 54.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 74.24 109.975 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 46.6 m-85 -82.08 139.78 34.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 73.33 110.657 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.623 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -98.02 -27.46 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.323 -0.861 . . . . 74.21 109.81 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 115' ' ' LYS . 9.9 mt -123.01 -75.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.375 -0.828 . . . . 65.21 110.097 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 71.4 110.181 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.472 -1.451 . . . . 43.3 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.512 ' OG ' ' NE2' ' A' ' 5' ' ' GLN . 46.3 t -153.91 29.21 0.46 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.207 -1.172 . . . . 75.43 110.362 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 86.8 m-20 -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 65.3 110.249 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -55.4 -47.38 75.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 71.33 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.512 ' NE2' ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -60.62 -30.56 69.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 61.44 110.076 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -62.29 -40.34 95.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 73.21 110.003 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.18 -33.34 61.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 74.15 109.801 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.47 -44.1 97.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 73.43 110.587 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -67.21 -34.96 78.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 74.44 110.138 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -70.41 -44.48 67.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.174 -0.954 . . . . 72.34 109.768 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.68 -32.38 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.355 -0.84 . . . . 63.11 109.877 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 5.3 m -59.42 -46.26 89.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 64.42 110.162 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -71.34 -29.72 65.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.894 . . . . 53.41 109.987 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' N ' ' HG3' ' A' ' 13' ' ' MET . 31.1 t -74.03 -46.56 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.966 . . . . 55.25 110.417 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 12' ' ' SER . 12.8 pt-20 -74.22 -17.54 60.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.219 -0.926 . . . . 74.22 110.447 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -102.66 -15.48 16.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.153 -0.967 . . . . 72.33 109.991 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' OD1' HD21 ' A' ' 113' ' ' LEU . 1.3 t30 -44.3 118.54 1.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -0.804 . . . . 73.02 110.203 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -30.92 69.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.163 -0.961 . . . . 74.11 110.162 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.57 -48.35 60.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 71.52 109.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CG1' HD11 ' A' ' 113' ' ' LEU . 25.1 mm -68.99 -31.97 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.199 -0.938 . . . . 71.14 109.717 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' CG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -49.9 -33.17 16.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 74.23 109.741 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -37.2 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 74.13 109.685 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.25 -43.6 60.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.329 -0.857 . . . . 71.44 110.173 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 76' ' ' SER . 12.6 tp -83.74 -10.18 58.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.487 -0.758 . . . . 72.22 110.405 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB2' ' HD2' ' A' ' 78' ' ' LYS . 33.4 mt-30 51.4 31.83 7.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.191 -0.943 . . . . 65.22 110.375 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 21' ' ' ARG . 11.6 p -61.75 -170.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 64.13 109.955 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -138.47 169.33 17.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.16 -0.962 . . . . 72.13 110.515 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 174.96 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.323 -0.86 . . . . 73.44 110.008 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -149.51 159.48 28.08 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.741 -1.344 . . . . 65.34 109.741 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 tt -57.15 -23.01 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -1.108 . . . . 65.34 110.237 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t -85.63 -11.94 52.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 72.43 110.09 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.7 131.97 1.41 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.387 -1.485 . . . . 52.31 109.387 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 6.3 mtpt -122.97 149.8 43.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.097 -1.237 . . . . 74.22 110.293 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.56 143.28 31.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.894 . . . . 52.14 110.811 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -119.0 128.54 54.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.429 -0.794 . . . . 63.44 109.386 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' OG ' ' A' ' 76' ' ' SER . 9.8 mt -106.8 147.01 30.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 72.23 110.953 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -120.01 138.08 53.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 71.51 110.155 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -132.81 163.74 28.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.419 -0.801 . . . . 71.14 110.355 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 2.7 p90 -149.92 154.22 37.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.35 -0.843 . . . . 72.05 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -60.05 -127.52 0.01 OUTLIER Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.953 -1.259 . . . . 73.35 109.953 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.85 -166.83 1.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -1.157 . . . . 73.4 110.044 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -171.03 81.26 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.229 -0.92 . . . . 75.41 110.684 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -174.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.243 -0.911 . . . . 53.54 110.023 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 45' ' ' ASN . 3.4 m -45.74 -67.48 0.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -0.955 . . . . 74.11 110.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 44' ' ' THR . 1.0 OUTLIER 60.01 141.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.298 -0.876 . . . . 65.53 110.498 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 20.5 t0 -93.89 23.44 4.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 73.51 109.982 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' CB ' ' CE3' ' A' ' 48' ' ' TRP . 0.7 OUTLIER 57.5 157.6 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.288 0.566 . . . . 65.43 110.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' ' CB ' ' A' ' 47' ' ' LYS . 7.7 m-90 53.46 55.62 8.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 74.25 110.12 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -106.98 -149.92 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.261 -0.9 . . . . 65.04 110.336 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -96.66 145.43 25.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 72.13 110.241 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.43 124.96 20.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.203 -0.936 . . . . 72.14 109.834 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.05 128.97 25.58 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.158 -0.964 . . . . 71.15 110.91 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -71.19 161.59 45.36 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 124.037 1.546 . . . . 75.13 109.795 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mm -76.37 135.97 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.955 -1.091 . . . . 73.43 109.36 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.96 153.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.493 -0.754 . . . . 75.14 110.708 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.63 144.07 49.84 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 72.0 110.026 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.2 p -101.1 140.06 35.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 62.44 110.493 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -120.36 125.55 48.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.296 -0.878 . . . . 72.5 110.363 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 129.1 28.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 72.32 109.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -114.97 143.02 45.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 73.4 110.498 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -176.64 3.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.174 -0.954 . . . . 52.35 110.084 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -59.35 -14.8 13.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.942 . . . . 72.42 110.08 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 57.0 mm-40 -85.34 -13.19 50.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.299 -0.876 . . . . 71.34 110.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.25 23.44 51.46 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.84 -1.304 . . . . 40.42 109.84 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 2.7 tpp85 -94.0 121.74 35.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -1.175 . . . . 53.35 110.102 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.485 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 83.5 m -80.12 124.24 28.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 64.14 110.435 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 65' ' ' ARG . 33.2 m170 -107.44 143.08 36.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 75.2 109.846 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -118.56 136.18 54.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.168 -0.958 . . . . 54.54 110.718 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 69' ' ' TYR . 25.3 m-85 -122.03 121.09 36.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.389 -0.819 . . . . 74.43 109.946 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.6 ttm -138.05 134.09 34.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -0.919 . . . . 63.3 110.338 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -144.78 144.65 31.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 70.44 110.146 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.409 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -149.13 152.1 35.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.24 -0.913 . . . . 64.22 110.095 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.609 ' CE1' HD11 ' A' ' 82' ' ' LEU . 14.3 m-70 -92.64 159.38 15.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 73.02 110.395 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.2 t -126.34 137.73 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.366 -0.834 . . . . 64.44 110.1 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 117.85 30.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 52.21 110.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.479 ' HB2' HD21 ' A' ' 24' ' ' LEU . 8.5 t -111.51 172.84 6.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -0.843 . . . . 72.53 110.223 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -15.44 58.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 75.33 110.223 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HD2' ' HB2' ' A' ' 25' ' ' GLN . 7.7 mttt -100.06 -27.59 13.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.872 . . . . 70.25 110.529 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 175.18 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.113 -0.992 . . . . 72.52 110.478 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.81 142.7 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 55.41 110.136 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.44 156.04 49.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 32.35 110.386 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.736 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.1 tt -113.24 136.9 52.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 54.25 110.014 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.2 t -116.02 132.45 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.21 -0.931 . . . . 75.25 110.649 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 43.5 t60 -130.05 131.15 45.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.4 -0.813 . . . . 74.1 109.558 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.692 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.7 pp -140.14 149.71 43.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.981 -1.075 . . . . 72.14 111.0 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -121.52 137.65 54.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.452 -0.78 . . . . 71.14 109.35 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -131.48 141.41 49.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.049 -1.032 . . . . 65.31 110.956 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.44 143.87 47.8 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.361 -0.837 . . . . 65.32 109.613 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -86.48 133.81 33.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 70.13 110.234 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.52 123.4 50.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.35 -0.844 . . . . 72.51 110.019 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 53.4 169.91 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.237 -0.915 . . . . 73.33 110.152 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 16.2 tt0 -105.13 76.8 1.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.244 -0.91 . . . . 52.23 110.714 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -163.55 23.77 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.927 . . . . 52.2 110.134 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.91 175.87 3.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 70.12 110.337 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -91.06 155.34 44.89 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 72.55 110.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -49.97 154.36 5.32 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.909 1.478 . . . . 73.12 110.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.3 155.05 51.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 72.44 110.057 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.692 ' CD2' HD13 ' A' ' 85' ' ' LEU . 40.3 m-85 -80.93 139.15 36.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.237 -0.914 . . . . 71.04 110.514 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 88' ' ' LYS . 2.7 pt -118.12 -18.44 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.257 -0.902 . . . . 72.11 109.633 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -143.69 129.32 19.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.839 . . . . 63.41 109.739 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.548 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -148.6 121.71 8.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 71.41 110.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 31.0 p90 -147.8 156.94 43.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 64.35 110.093 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 82' ' ' LEU . 29.0 t -125.97 147.98 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 72.45 110.336 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.44 115.28 29.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 72.01 110.26 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.542 ' CG1' ' HB2' ' A' ' 108' ' ' GLU . 6.4 p -109.17 132.82 21.0 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 44.35 110.012 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -69.32 131.32 21.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 63.51 111.301 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.29 -21.19 13.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.346 -1.102 . . . . 54.24 110.346 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.542 ' HB2' ' CG1' ' A' ' 105' ' ' VAL . 2.5 mt-10 -119.87 158.91 25.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.956 -1.32 . . . . 73.42 110.431 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 149.4 46.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.181 -0.949 . . . . 75.2 109.795 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -70.06 136.21 50.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.234 -0.916 . . . . 73.41 110.38 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.79 130.58 56.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.345 -0.847 . . . . 71.23 109.911 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.55 ' CD2' ' CB ' ' A' ' 115' ' ' LYS . 20.5 p90 -85.26 143.99 28.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 75.33 110.34 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.544 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -95.89 -38.58 10.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 50.21 110.169 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 101' ' ' MET . 33.0 mt -106.85 -71.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 74.23 110.244 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' CB ' ' CD2' ' A' ' 112' ' ' TYR . 10.8 tttm . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 73.33 110.248 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.614 -1.394 . . . . 61.15 109.614 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 2.5 t 69.22 34.16 3.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -1.148 . . . . 71.54 110.335 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.699 ' HA ' HD12 ' A' ' 6' ' ' LEU . 12.6 m-20 -61.82 -43.11 99.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.195 -0.941 . . . . 74.1 110.032 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 m -58.87 -45.01 91.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 74.14 109.643 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.1 mt-30 -70.52 -31.05 67.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 73.45 109.825 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 3' ' ' ASP . 8.3 mt -53.87 -42.83 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 74.41 109.508 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.6 -34.8 58.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.427 -0.796 . . . . 74.44 109.251 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.527 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 37.0 m-20 -62.28 -47.28 85.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.429 -0.795 . . . . 71.31 110.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 11.6 ptm180 -61.51 -32.3 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 73.21 110.022 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -73.84 -45.07 53.4 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.358 -0.839 . . . . 73.04 109.522 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.85 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.41 -30.65 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.783 . . . . 74.51 109.675 179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 t -60.13 -50.34 74.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.456 -0.778 . . . . 71.14 110.477 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 5.8 ptt? -67.41 -31.3 71.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.956 . . . . 60.01 109.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.501 HG21 ' HE3' ' A' ' 101' ' ' MET . 39.1 t -73.0 -50.83 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 72.01 110.821 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.09 -29.23 68.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.189 -0.944 . . . . 71.35 110.815 -179.286 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 16.3 ptpt -86.84 -14.41 42.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.083 . . . . 61.11 109.854 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.588 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.8 t30 -53.78 108.59 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 73.24 110.182 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -57.36 -34.22 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 54.13 110.008 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.523 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 35.3 m-20 -60.66 -49.23 78.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 72.13 109.734 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.04 -37.13 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 61.42 109.84 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -53.16 -34.11 55.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 73.02 109.481 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.1 p -58.43 -39.2 79.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 72.13 109.421 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.95 -42.67 72.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.631 -0.668 . . . . 73.1 109.314 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -79.35 -10.44 59.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 73.34 110.107 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' ARG . 12.7 mt-30 48.39 34.8 5.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 74.31 109.916 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 71.21 110.575 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -87.99 166.98 14.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -0.871 . . . . 74.41 110.561 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 3.4 t0 177.28 85.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.326 -0.859 . . . . 71.42 109.945 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . -166.29 158.77 31.84 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.383 -1.487 . . . . 32.05 109.383 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 tp -55.93 -22.88 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -1.151 . . . . 73.1 110.449 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -102.21 -3.38 27.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.169 -0.957 . . . . 73.21 110.406 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -167.8 113.03 0.52 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.323 -1.511 . . . . 64.21 109.323 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -118.38 145.41 45.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.378 -1.072 . . . . 72.55 110.416 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.006 ' OE1' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -77.85 134.08 38.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.291 -0.881 . . . . 51.55 110.333 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.43 116.84 28.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.853 . . . . 74.35 109.844 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.006 HD11 ' OE1' ' A' ' 34' ' ' GLU . 23.3 mt -109.44 145.69 35.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 64.41 110.529 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -115.19 131.05 57.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 73.43 109.988 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.85 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -123.45 158.77 30.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 71.22 110.29 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 72' ' ' PHE . 19.0 m-85 -134.7 158.36 44.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 63.15 110.311 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -81.82 -120.39 0.55 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.752 -1.339 . . . . 73.31 109.752 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 41.9 mt-10 -66.42 178.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 70.41 110.479 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 17.6 tp -177.18 127.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 72.22 110.088 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -77.57 -170.26 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.292 -0.88 . . . . 64.32 110.225 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' THR . 1.8 t -130.28 85.34 2.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.15 -0.969 . . . . 70.3 110.317 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -149.97 -143.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 73.34 110.4 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -110.51 -177.4 3.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.243 -0.91 . . . . 71.2 110.313 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.45 -170.62 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.845 . . . . 65.13 110.232 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 4.0 p-90 -159.22 -47.17 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.294 -0.879 . . . . 71.42 109.987 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' TRP . 4.5 p 43.03 -155.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.253 -0.904 . . . . 41.01 110.103 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 152.47 18.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 71.45 110.039 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -80.71 167.9 19.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 74.3 110.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.14 156.0 86.04 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.322 -0.861 . . . . 71.13 110.057 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -65.39 160.11 44.23 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 O-C-N 124.023 1.538 . . . . 31.43 110.314 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.56 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 15.7 mm -101.94 135.69 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.426 -0.796 . . . . 43.25 109.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.1 153.27 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 54.43 110.265 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 p -120.2 148.39 43.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -0.883 . . . . 75.53 110.343 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.6 p -101.24 136.42 41.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.351 -0.843 . . . . 55.5 110.045 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -126.77 125.26 41.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.087 -1.008 . . . . 72.1 110.746 -179.749 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -131.18 124.49 30.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 75.31 109.539 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -117.39 143.99 45.41 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.084 -1.01 . . . . 73.13 110.835 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -95.52 -163.91 1.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.467 -0.771 . . . . 74.21 109.911 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -15.33 62.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 73.31 110.469 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -85.27 -11.24 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 64.14 110.535 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.35 2.43 76.86 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.625 -1.39 . . . . 52.31 109.625 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.15 121.56 20.45 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 71.12 109.975 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.409 ' HB ' ' CD ' ' A' ' 89' ' ' GLU . 99.0 m -100.8 126.23 47.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.93 . . . . 72.21 110.565 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -105.77 143.56 33.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 72.34 109.773 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -119.16 137.23 53.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 75.02 110.812 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 86' ' ' GLU . 12.0 m-85 -124.48 120.25 31.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 74.45 109.601 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 140.56 49.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.063 -1.023 . . . . 63.24 110.718 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -149.14 143.01 25.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.368 -0.833 . . . . 73.45 110.017 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 11' ' ' VAL . 10.2 p90 -147.57 169.65 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.223 -0.923 . . . . 72.2 110.311 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 82' ' ' LEU . 14.5 m170 -100.94 146.41 27.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 74.22 110.37 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 38' ' ' ALA . 5.0 t -124.74 130.4 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.853 . . . . 70.12 109.385 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.26 120.05 36.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 73.43 110.735 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.791 ' OG ' HD22 ' A' ' 36' ' ' LEU . 1.6 m -117.01 165.81 12.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.369 -0.832 . . . . 62.42 109.897 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -13.53 58.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.149 -0.969 . . . . 73.14 110.16 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -97.27 -30.14 13.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 71.5 110.556 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 10.9 ptpt 174.58 169.63 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.247 -0.908 . . . . 72.14 110.295 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.24 134.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 71.4 109.438 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.98 157.6 27.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.164 -0.96 . . . . 54.32 110.716 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -115.97 120.68 39.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.471 -0.768 . . . . 70.12 109.276 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 HG23 ' A' ' 103' ' ' VAL . 18.2 t -110.81 130.89 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 64.44 111.368 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 4.6 t60 -130.69 129.65 42.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.547 -0.72 . . . . 64.24 109.233 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 98' ' ' PHE . 2.1 pp -131.79 153.29 50.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.022 -1.049 . . . . 62.11 110.971 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.552 ' HG2' ' CD2' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -135.45 129.84 33.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.515 -0.741 . . . . 44.43 109.656 179.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.52 153.99 46.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.159 -0.963 . . . . 74.13 110.578 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' CD ' HD13 ' A' ' 99' ' ' ILE . 8.7 ptmt -132.75 143.17 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -0.812 . . . . 75.42 109.873 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 20.4 pt-20 -98.41 139.5 34.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.219 -0.926 . . . . 75.1 110.357 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.6 m -105.41 150.77 24.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.288 -0.882 . . . . 65.25 109.946 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -39.97 130.94 2.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.409 -0.807 . . . . 75.41 110.145 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 49.09 91.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -0.95 . . . . 71.2 109.655 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.32 24.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.169 -0.957 . . . . 63.32 110.596 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 46.21 -110.66 0.27 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.228 -0.92 . . . . 74.35 110.483 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.8 155.25 64.96 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 72.31 110.614 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.457 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 37.9 Cg_endo -74.78 165.74 30.83 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.129 1.594 . . . . 74.42 110.426 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 0.9 OUTLIER -116.89 144.78 44.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 75.21 110.121 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.835 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 55.8 m-85 -79.09 139.07 38.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 75.32 110.213 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 88' ' ' LYS . 2.6 pt -119.32 -18.99 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.309 -0.869 . . . . 70.42 110.495 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -140.94 128.23 21.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 65.21 110.25 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.582 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -150.46 123.01 8.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 73.41 110.347 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 15.0 p90 -147.47 156.77 43.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.079 -1.013 . . . . 71.43 110.525 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 83' ' ' VAL . 7.9 p -119.27 140.67 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 72.41 110.224 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.47 124.09 48.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 71.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.29 126.66 28.01 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.315 -0.866 . . . . 73.54 110.029 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.7 126.91 16.15 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.849 1.447 . . . . 71.23 110.491 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 -20.51 21.1 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.644 -1.382 . . . . 45.32 109.644 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -118.98 170.32 9.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -1.141 . . . . 70.44 109.947 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.08 138.55 33.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.937 . . . . 75.42 110.286 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.5 ptm180 -66.46 143.49 57.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.866 . . . . 63.31 110.215 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.1 t80 -116.16 132.96 56.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.348 -0.845 . . . . 75.43 110.137 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 10.4 p90 -82.58 147.27 28.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 73.33 110.48 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.588 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -102.32 -44.78 5.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.414 -0.804 . . . . 63.32 110.159 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 101' ' ' MET . 82.9 mt -104.33 -45.91 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 72.52 110.372 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 14.0 tttp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 73.12 110.199 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.497 -1.441 . . . . 53.12 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -86.67 9.85 17.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.3 -1.117 . . . . 73.35 110.136 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 4' ' ' THR . 2.2 p30 -61.76 -34.07 75.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 64.13 110.008 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.402 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 81.3 m -57.69 -43.98 85.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 55.02 109.876 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.48 -31.03 68.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.924 . . . . 62.04 109.895 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' SD ' ' A' ' 70' ' ' MET . 20.7 tp -58.31 -38.67 77.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.475 -0.765 . . . . 64.32 110.072 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.507 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.01 -33.89 57.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 75.13 109.73 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -57.56 -51.82 67.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 73.31 110.255 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.2 ptm85 -66.91 -36.33 82.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -0.888 . . . . 73.14 110.46 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -66.58 -42.57 86.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.902 . . . . 42.34 110.4 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.84 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.31 -33.86 47.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.366 -0.833 . . . . 42.13 110.426 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 1.7 t -56.49 -50.16 72.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 75.13 110.339 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.3 ptt? -69.86 -30.82 68.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 42.33 110.006 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 113' ' ' LEU . 55.9 t -74.87 -37.32 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 70.44 110.751 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.619 ' HB2' HD12 ' A' ' 36' ' ' LEU . 22.3 pt-20 -80.0 -19.39 47.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 71.21 110.674 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 13' ' ' MET . 7.3 pttp -103.46 -15.98 15.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.089 -1.007 . . . . 75.33 110.382 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -49.04 115.55 1.33 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.167 -0.958 . . . . 74.45 110.29 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.9 ptpt -61.3 -27.39 68.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 74.1 110.263 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.14 -43.02 79.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 72.52 109.969 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.563 HG13 HD21 ' A' ' 113' ' ' LEU . 41.4 mm -76.29 -37.87 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.892 . . . . 60.32 110.347 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.95 -35.33 58.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.063 -1.023 . . . . 73.44 109.808 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 22.3 m -61.98 -36.67 82.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 73.35 109.562 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 111' ' ' TYR . 13.7 mt -73.27 -39.05 65.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.358 -0.839 . . . . 74.45 109.651 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -0.82 57.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 63.5 110.265 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . 31.6 mt-30 53.11 32.63 13.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 73.11 110.072 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' GLN . 1.3 m -53.82 -169.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 70.14 110.228 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.521 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -137.88 173.71 11.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 70.53 110.491 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 170.94 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 64.12 110.11 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.84 152.91 23.48 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.575 -1.41 . . . . 54.44 109.575 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.31 -22.22 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 73.31 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 t -96.64 -0.79 47.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 75.02 110.119 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.57 114.03 0.46 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.594 -1.402 . . . . 54.35 109.594 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.16 128.41 56.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -1.069 . . . . 73.23 109.935 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 17.9 tp10 -91.56 142.92 27.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 74.14 110.605 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -128.05 119.22 24.96 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.979 -0.749 . . . . 73.24 108.979 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 15' ' ' GLU . 14.6 mt -98.97 146.22 26.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 74.04 111.169 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -120.1 129.36 54.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.715 -0.616 . . . . 75.42 109.759 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.84 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -130.65 143.3 50.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 71.24 110.382 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.7 p90 -147.5 161.22 41.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -0.828 . . . . 72.22 109.903 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 39' ' ' TYR . . . -56.97 -160.17 0.02 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.549 -1.421 . . . . 73.2 109.549 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 19.9 pt-20 -132.38 -156.96 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -1.159 . . . . 62.21 110.228 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 1.3 mp 62.68 60.32 1.33 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 61.54 110.135 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 42' ' ' LEU . 1.1 pp -145.87 -172.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 65.34 110.339 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 45' ' ' ASN . 8.6 t -154.62 -37.4 0.09 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.224 -0.923 . . . . 73.31 110.264 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' N ' HG23 ' A' ' 44' ' ' THR . 0.9 OUTLIER -149.14 103.78 3.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 75.35 109.815 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 44.6 p30 -122.3 153.06 39.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 71.21 110.3 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 9.4 mmmt -123.76 -154.32 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.268 -0.895 . . . . 41.41 109.949 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.639 ' HD1' HG23 ' A' ' 49' ' ' THR . 1.9 p90 -90.94 10.4 26.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 74.12 110.041 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.639 HG23 ' HD1' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -136.26 168.38 19.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 70.3 110.225 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.7 OUTLIER 42.68 86.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 75.35 110.133 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -106.27 149.13 27.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -0.906 . . . . 72.14 110.488 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 12.6 tpt180 -86.48 119.87 71.71 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.356 -0.84 . . . . 64.41 109.86 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HD2' ' HD2' ' A' ' 52' ' ' ARG . 19.1 Cg_endo -62.21 160.12 32.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.873 1.459 . . . . 74.25 110.205 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.428 HD12 ' HA3' ' A' ' 40' ' ' GLY . 16.5 mm -85.1 139.05 18.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.381 -0.824 . . . . 74.32 110.406 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 55' ' ' VAL . 7.7 p -96.3 140.84 16.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.504 -0.748 . . . . 75.15 110.334 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.59 149.39 40.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 75.42 110.391 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.4 p -109.56 143.3 39.44 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.321 -0.862 . . . . 62.13 109.992 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -115.89 136.18 53.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 75.33 110.393 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -146.07 123.59 11.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 61.22 109.9 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.1 pp -109.73 137.22 47.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 61.21 110.275 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.15 -171.18 2.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.177 -0.952 . . . . 72.3 110.272 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -16.23 55.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -0.893 . . . . 70.55 110.176 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.3 -10.37 57.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 72.14 110.247 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.09 7.05 81.03 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.591 -1.404 . . . . 64.41 109.591 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -86.39 121.68 29.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.17 -1.194 . . . . 73.3 110.048 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.501 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 51.1 m -88.54 134.66 33.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 74.01 110.442 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -108.56 149.25 29.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.871 . . . . 73.44 110.225 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.08 141.71 48.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 74.3 110.489 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 86' ' ' GLU . 57.2 m-85 -124.19 120.04 31.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 73.21 110.008 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.433 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 4.0 ttm -133.16 134.38 44.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 74.25 110.172 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -140.9 145.27 35.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 73.13 110.609 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.65 ' CE2' HG11 ' A' ' 83' ' ' VAL . 3.4 p90 -156.92 161.48 39.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 63.13 109.938 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.662 ' ND1' HD23 ' A' ' 82' ' ' LEU . 5.2 m-70 -100.7 159.41 15.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.096 -1.002 . . . . 71.43 110.45 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 38' ' ' ALA . 60.5 t -123.68 130.69 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.383 -0.823 . . . . 44.4 109.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -106.63 118.76 37.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 63.43 110.848 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 p -112.14 174.29 5.95 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.333 -0.854 . . . . 63.22 109.486 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -79.98 -18.34 50.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.134 -0.979 . . . . 62.12 109.538 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.07 -28.07 15.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 72.11 110.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -179.05 -173.62 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 75.53 110.754 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.504 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 43.1 mt -115.12 145.07 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.82 . . . . 63.04 109.962 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.44 157.27 42.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 60.45 110.637 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 83' ' ' VAL . 3.0 tm? -112.96 128.63 56.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 62.55 109.236 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 82' ' ' LEU . 74.0 t -115.87 126.56 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 64.43 111.33 -179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.5 t-80 -129.18 139.03 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.088 -0.708 . . . . 73.31 109.088 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.719 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.5 pp -148.25 153.67 39.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.919 -1.113 . . . . 73.25 111.178 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.592 ' HG3' ' CE2' ' A' ' 69' ' ' TYR . 5.2 tt0 -124.51 135.15 52.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.545 -0.722 . . . . 44.52 109.435 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -124.68 153.83 41.71 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.975 -1.078 . . . . 54.52 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.576 ' CD ' HG21 ' A' ' 99' ' ' ILE . 1.1 ptmm? -131.22 144.08 51.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.478 -0.764 . . . . 75.35 109.703 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.501 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -90.1 138.75 31.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 75.43 111.061 -179.305 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -130.15 151.11 51.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.462 -0.774 . . . . 71.13 109.479 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -38.97 134.29 1.03 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.286 -0.884 . . . . 75.34 110.169 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER 48.67 -143.98 0.44 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 52.44 109.875 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER 68.51 9.0 7.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.15 -0.969 . . . . 73.21 110.725 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 93' ' ' ASN . 6.1 t80 67.17 -131.82 0.14 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.073 -1.017 . . . . 73.51 110.125 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -71.77 156.28 91.31 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.088 -1.007 . . . . 53.5 110.416 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HB3' ' C ' ' A' ' 88' ' ' LYS . 50.4 Cg_exo -48.86 161.22 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 124.099 1.578 . . . . 71.33 110.432 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.16 157.54 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.276 -0.89 . . . . 73.12 110.016 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.559 ' HD2' HD13 ' A' ' 85' ' ' LEU . 75.4 m-85 -88.54 136.87 32.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 74.34 110.389 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.576 HG21 ' CD ' ' A' ' 88' ' ' LYS . 4.0 pt -117.77 -12.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 74.13 109.974 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 34.0 m120 -147.62 128.28 14.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 70.24 110.14 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.734 ' HB2' HD12 ' A' ' 114' ' ' ILE . 1.8 tpt -149.88 115.21 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.339 -0.851 . . . . 55.4 109.803 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 8.9 p90 -147.53 151.25 36.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 75.44 110.316 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 83' ' ' VAL . 21.9 t -119.4 148.35 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 71.35 110.223 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.33 123.0 40.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 62.04 110.358 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.46 ' HB ' ' HB3' ' A' ' 108' ' ' GLU . 36.3 t -104.84 129.96 23.98 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 70.55 109.963 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 80' ' ' ILE . 16.0 Cg_exo -63.11 126.79 18.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.779 1.41 . . . . 63.51 110.27 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.66 45.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.831 -1.308 . . . . 73.44 109.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -118.39 164.82 14.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 61.05 110.192 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -76.66 142.15 40.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.92 . . . . 75.21 110.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -77.21 140.62 40.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 62.44 110.738 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CG ' HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -121.08 127.36 51.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.804 . . . . 73.41 109.693 179.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 29.2 p90 -77.21 141.8 39.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.166 -0.959 . . . . 74.31 110.604 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.574 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -95.13 -35.82 11.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.368 -0.832 . . . . 74.15 110.184 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.734 HD12 ' HB2' ' A' ' 101' ' ' MET . 52.2 mt -127.04 -42.98 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 60.14 110.13 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 9.4 ttmt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 62.33 110.235 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.528 -1.429 . . . . 74.24 109.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.636 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -66.12 -9.1 28.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.328 -1.101 . . . . 63.54 110.063 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -45.89 90.41 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 75.51 110.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -54.44 -44.34 72.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.173 -0.954 . . . . 73.21 109.98 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -70.44 -30.81 67.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 74.51 110.035 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 2' ' ' SER . 4.0 mp -61.79 -41.93 98.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.925 . . . . 74.21 110.09 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.542 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.79 -33.59 58.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 74.04 109.663 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -54.37 -52.05 62.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.353 -0.842 . . . . 75.05 110.052 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 2.8 ptm180 -66.85 -31.43 72.04 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.945 . . . . 75.41 109.79 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.84 -44.09 90.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 74.11 109.475 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -71.95 -35.05 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.364 -0.835 . . . . 63.01 109.291 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.5 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -52.68 -49.33 65.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.338 -0.851 . . . . 63.12 109.699 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.559 ' HA ' ' CG ' ' A' ' 16' ' ' LYS . 6.3 ptp -70.78 -30.95 67.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.238 -0.914 . . . . 71.12 109.353 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ALA . 51.5 t -71.48 -41.14 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.481 -0.762 . . . . 71.21 110.458 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.771 ' HB2' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.78 -25.19 53.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.9 . . . . 74.15 110.229 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -97.37 -18.57 19.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 63.41 110.199 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 6.5 t-20 -48.45 123.44 6.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.183 -0.948 . . . . 73.34 109.897 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -62.08 -37.91 86.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 65.02 110.591 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 3.5 m-20 -61.14 -45.35 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 65.33 110.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.426 ' CG1' HD11 ' A' ' 113' ' ' LEU . 50.2 mm -68.92 -35.58 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 73.24 109.884 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -50.32 -39.23 45.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 61.31 109.535 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 m -67.4 -36.18 80.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.432 -0.793 . . . . 73.35 109.611 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 111' ' ' TYR . 38.5 mt -73.85 -40.41 63.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 64.33 109.801 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -86.38 -8.3 57.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 53.33 110.252 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 23.4 mt-30 48.37 27.48 1.38 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 62.2 109.647 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' HB2' ' CD ' ' A' ' 34' ' ' GLU . 20.2 p -77.43 -159.59 0.15 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.774 . . . . 62.55 110.422 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.0 m-20 -116.0 159.61 21.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 64.03 110.133 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -179.28 93.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.226 -0.921 . . . . 64.24 110.19 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.74 153.72 25.18 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.489 -1.445 . . . . 23.33 109.489 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -16.65 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.387 -1.066 . . . . 53.24 110.243 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -94.86 -23.2 17.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 74.25 110.055 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.91 124.7 1.26 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.686 -1.365 . . . . 64.14 109.686 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.75 147.97 40.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -1.103 . . . . 63.54 110.191 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -84.37 143.25 29.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 60.23 110.796 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -109.54 118.2 35.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.412 -0.805 . . . . 65.04 109.978 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.891 HD22 ' OG ' ' A' ' 76' ' ' SER . 72.7 mt -109.69 146.39 34.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 71.44 110.498 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 137.16 51.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.369 -0.832 . . . . 75.31 109.971 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.666 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -129.58 163.2 26.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 64.11 110.4 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 73' ' ' HIS . 11.0 p90 -160.21 148.09 16.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.223 -0.923 . . . . 73.3 110.34 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.02 -132.26 1.22 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.801 -1.32 . . . . 73.25 109.801 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -48.05 167.4 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.31 -1.112 . . . . 71.43 110.415 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' A' ' 52' ' ' ARG . 1.0 OUTLIER 62.13 -172.14 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.3 -0.875 . . . . 50.45 110.262 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.403 HD12 ' HB2' ' A' ' 45' ' ' ASN . 1.7 pt -130.69 -172.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.313 -0.867 . . . . 73.44 110.087 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' ASN . 6.6 m -98.16 -58.68 1.92 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 75.14 110.243 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' THR . 11.1 t-20 62.07 128.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.256 -0.903 . . . . 73.51 110.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.0 m-20 -52.35 142.88 16.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 71.12 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 60.84 -175.62 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 71.0 110.354 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 m95 55.43 21.2 4.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 65.42 110.178 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.31 159.06 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.799 . . . . 75.13 110.498 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -172.5 164.16 5.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 63.23 109.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.31 76.13 1.64 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 70.33 110.106 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.55 ' HD2' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -71.57 161.46 78.43 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.944 . . . . 75.24 110.372 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -77.14 159.35 33.61 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 124.043 1.549 . . . . 74.52 110.931 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 54' ' ' ILE . 14.4 mm -112.24 137.88 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.355 -0.841 . . . . 44.44 109.695 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.9 143.94 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.208 -0.933 . . . . 65.2 110.594 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.461 ' HB3' ' CE ' ' A' ' 70' ' ' MET . 0.5 OUTLIER -129.46 150.6 50.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.359 -0.838 . . . . 71.41 110.217 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' A' ' 69' ' ' TYR . 71.8 p -101.43 147.65 26.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 73.41 110.217 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.25 134.39 55.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 61.13 110.375 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -144.98 126.53 15.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 70.54 110.047 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.4 pp -107.09 141.88 37.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 61.23 110.456 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.98 -164.43 1.17 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.29 -0.881 . . . . 64.44 110.234 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -69.81 -12.85 61.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 74.31 110.321 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 16.9 mt-10 -89.3 -8.39 53.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 61.3 110.246 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.13 80.76 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.398 . . . . 45.05 109.604 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 23.8 ttp180 -82.49 121.76 27.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.229 -1.16 . . . . 75.11 110.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 7.5 m -84.1 130.36 34.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 73.14 110.317 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.55 143.41 39.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.198 -0.939 . . . . 62.45 110.13 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 57' ' ' THR . 21.8 m-70 -117.47 145.9 43.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 74.23 110.318 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 12.3 m-85 -121.37 131.39 54.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 54.43 109.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 56' ' ' SER . 3.2 ttm -134.46 128.25 33.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.125 -0.985 . . . . 75.23 110.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 15.2 ptm180 -133.45 142.19 48.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 72.22 110.246 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -154.76 151.46 28.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 75.41 109.992 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 73' ' ' HIS . 2.1 m-70 -89.06 150.51 22.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.93 . . . . 73.44 110.375 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 40.3 t -124.12 130.68 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 74.4 109.89 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.1 120.21 40.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 72.44 110.416 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.891 ' OG ' HD22 ' A' ' 36' ' ' LEU . 44.5 m -113.19 165.54 12.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.336 -0.852 . . . . 44.12 109.953 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -70.0 -17.85 63.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.112 -0.993 . . . . 72.35 110.138 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 25' ' ' GLN . 2.3 mttm -96.88 -25.56 15.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 75.02 110.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 1.8 ttmt 177.61 -167.65 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.975 . . . . 72.51 110.499 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.72 144.34 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.402 -0.811 . . . . 73.31 109.301 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.61 155.98 46.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.041 -1.037 . . . . 54.44 111.097 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 82' ' ' LEU . 2.5 tm? -113.24 125.61 54.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.517 -0.739 . . . . 63.32 109.134 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 HG22 ' A' ' 103' ' ' VAL . 27.9 t -112.93 133.36 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.92 . . . . 74.24 111.421 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 102' ' ' TYR . 2.0 t60 -128.7 130.43 47.14 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.039 -0.726 . . . . 64.24 109.039 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.646 HD12 ' C ' ' A' ' 85' ' ' LEU . 4.0 pp -137.25 148.58 46.55 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.103 -0.998 . . . . 74.25 111.106 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -119.79 134.87 55.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 63.15 109.449 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 97' ' ' ASP . . . -129.33 151.34 50.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 64.24 110.895 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.636 ' HG2' HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -128.81 144.51 51.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 75.03 109.603 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -85.67 139.75 31.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.109 -0.995 . . . . 71.22 110.702 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -90.81 151.09 21.31 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.406 -0.809 . . . . 75.42 110.119 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -43.96 169.11 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 75.1 110.296 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 2.2 tp60 65.25 -164.65 0.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 65.52 110.652 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 93' ' ' ASN . 32.8 t30 -96.68 25.7 5.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.846 . . . . 64.24 110.356 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -65.79 163.9 15.79 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.229 -0.919 . . . . 70.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -78.15 152.71 79.45 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 73.33 110.124 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 12.0 Cg_endo -60.56 163.88 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.995 1.524 . . . . 72.21 110.427 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 19.0 m-20 -132.71 157.74 44.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.872 . . . . 61.31 110.322 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.734 ' C ' HD13 ' A' ' 99' ' ' ILE . 62.5 m-85 -103.62 134.47 46.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 74.13 109.785 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -116.3 -24.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 72.41 109.92 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -134.36 128.94 34.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.201 -0.937 . . . . 63.22 110.212 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.429 ' HE1' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.56 118.07 6.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 62.24 110.174 179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 84' ' ' HIS . 12.9 p90 -147.36 157.82 43.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.959 . . . . 74.31 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.732 HG22 HG13 ' A' ' 83' ' ' VAL . 54.8 t -129.07 151.21 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.199 -0.938 . . . . 62.11 110.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 110' ' ' ARG . 3.5 m-20 -101.47 115.16 29.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 72.1 110.26 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.04 117.43 67.16 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.246 -0.909 . . . . 71.44 109.727 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -59.33 126.37 20.63 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.761 1.4 . . . . 72.31 110.811 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.14 -20.13 14.59 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.337 -1.105 . . . . 34.3 110.337 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -118.4 166.04 13.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.293 . . . . 65.21 110.581 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -69.89 151.05 46.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.373 -0.829 . . . . 72.21 110.581 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -74.2 141.28 45.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 71.12 110.128 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 33.6 t80 -117.07 133.2 56.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 73.14 110.192 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -89.76 143.95 26.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 73.12 110.429 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.426 HD11 ' CG1' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.54 -39.29 7.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 64.54 109.975 179.672 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 99' ' ' ILE . 48.1 mt -119.18 -39.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 74.45 109.965 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.9 tttm . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 71.11 110.266 -179.895 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.524 -1.43 . . . . 71.32 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.693 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -104.26 -7.33 20.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -1.134 . . . . 75.33 110.236 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.76 81.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.959 . . . . 65.12 110.064 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -66.85 -34.72 78.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 54.31 109.992 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -69.75 -31.34 69.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.852 . . . . 72.33 110.102 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -62.04 -41.57 98.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.285 -0.884 . . . . 53.43 110.127 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -75.17 -37.0 61.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 74.13 109.658 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 11' ' ' VAL . 53.0 m-20 -56.16 -51.79 66.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 74.34 110.46 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 16.8 ptm180 -60.46 -37.66 81.72 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 71.23 110.243 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.56 -43.81 72.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.16 -0.962 . . . . 75.25 109.993 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.858 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -69.01 -31.61 51.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.359 -0.838 . . . . 73.0 110.08 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 35.1 m -59.8 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.855 . . . . 73.52 110.416 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 11.4 ptt? -72.03 -30.59 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.162 -0.961 . . . . 71.15 109.988 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' N ' ' HG3' ' A' ' 13' ' ' MET . 75.4 t -75.34 -41.44 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.28 -0.887 . . . . 73.02 110.797 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' A' ' 11' ' ' VAL . 10.9 pt-20 -75.09 -22.0 58.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.232 -0.918 . . . . 74.43 110.701 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -98.7 -15.88 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 63.4 110.453 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 31.8 t-20 -49.59 123.11 7.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 72.42 110.251 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 6.1 pttt -60.97 -32.86 72.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 62.02 110.202 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 3.3 m-20 -67.75 -42.48 81.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 72.33 110.584 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.82 -34.4 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.229 -0.919 . . . . 64.14 110.33 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 ttm180 -55.79 -37.41 68.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.878 . . . . 61.02 110.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -63.73 -40.32 96.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 64.53 109.904 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 111' ' ' TYR . 12.2 mt -73.07 -44.7 60.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 75.13 109.832 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -86.38 0.88 53.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.44 -0.788 . . . . 73.42 110.146 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CD ' ' A' ' 78' ' ' LYS . 43.5 mt-30 56.46 31.34 18.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 71.34 109.745 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' ' 36' ' ' LEU . 37.1 t -70.44 168.14 16.76 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.335 -0.853 . . . . 31.31 110.295 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' H ' ' CB ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -136.08 159.89 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.496 -0.752 . . . . 75.12 110.027 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -174.35 79.22 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.133 -0.979 . . . . 75.2 110.34 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.08 166.27 33.5 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 32.44 109.52 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.11 -17.15 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -1.195 . . . . 65.23 110.271 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -89.08 -23.16 22.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.146 -0.971 . . . . 55.55 109.782 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.15 128.82 1.74 Allowed Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.553 -1.419 . . . . 62.14 109.553 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.06 122.74 43.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -1.141 . . . . 55.24 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -102.36 143.59 31.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 74.4 110.307 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -126.93 114.77 18.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.462 -0.774 . . . . 74.43 109.341 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD11 ' SG ' ' A' ' 26' ' ' CYS . 20.1 mt -102.32 145.11 29.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 72.11 110.199 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 129.69 45.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.295 -0.878 . . . . 53.34 110.555 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 1.005 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -119.14 163.33 17.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.389 -0.819 . . . . 43.51 109.275 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -161.38 141.28 10.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.885 -1.134 . . . . 72.22 111.175 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' A' ' 54' ' ' ILE . . . -97.8 4.83 61.54 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.061 -1.616 . . . . 40.22 109.061 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.775 ' HG3' HD11 ' A' ' 54' ' ' ILE . 23.8 mt-10 -81.92 13.01 3.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.464 -1.021 . . . . 65.43 110.757 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -25.06 126.12 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.315 0.579 . . . . 74.35 111.395 -179.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -124.01 -167.21 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 73.05 110.741 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 44' ' ' THR . 9.0 t -174.41 43.52 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.539 -0.726 . . . . 74.52 109.849 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.456 ' O ' ' O ' ' A' ' 46' ' ' ASP . 49.1 m-80 -141.5 -137.0 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 65.31 110.82 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 45' ' ' ASN . 6.0 m-20 -56.03 -155.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.339 -0.851 . . . . 61.33 111.314 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' ASP . 3.8 mtpt -39.07 158.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.59 -0.694 . . . . 64.44 110.965 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' O ' ' O ' ' A' ' 49' ' ' THR . 66.9 p-90 -88.09 5.58 40.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.49 -0.756 . . . . 61.21 109.994 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 48' ' ' TRP . 2.5 p -46.56 175.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.395 -0.816 . . . . 73.24 110.431 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -51.86 108.68 0.29 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.249 -0.907 . . . . 73.13 109.763 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -58.93 1.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 74.04 110.799 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -102.83 119.34 55.96 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.093 -1.004 . . . . 64.35 110.686 -179.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.41 159.69 48.66 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 O-C-N 123.906 1.477 . . . . 74.33 109.979 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.775 HD11 ' HG3' ' A' ' 41' ' ' GLU . 48.3 mm -88.08 132.58 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 55.34 110.289 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.02 150.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.415 -0.803 . . . . 73.41 110.594 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -115.99 147.59 41.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.396 -0.815 . . . . 65.4 110.004 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.6 147.22 25.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.359 -0.838 . . . . 54.24 110.241 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 3.4 ptmt -136.63 128.71 29.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.898 . . . . 72.43 110.577 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -142.28 134.61 27.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 70.32 109.65 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.537 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -121.81 147.28 46.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.985 . . . . 64.34 110.993 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.1 -169.58 2.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.376 -0.828 . . . . 73.12 109.572 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 62' ' ' LYS . 8.3 mmtm -70.48 -7.65 45.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.072 -1.017 . . . . 73.34 109.889 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -87.03 -13.62 43.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.388 -0.82 . . . . 75.55 110.3 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.83 5.18 68.76 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.621 -1.392 . . . . 62.32 109.621 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.35 121.89 27.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.159 -1.201 . . . . 74.32 110.212 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 22.1 m -91.8 137.07 32.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 61.53 110.543 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -113.18 147.42 37.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 61.35 109.705 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 10.3 t-80 -123.33 136.92 54.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.104 -0.998 . . . . 73.23 110.827 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 73.5 m-85 -125.67 121.74 34.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.444 -0.785 . . . . 74.44 109.939 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HE1' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -139.75 144.85 37.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 64.52 110.467 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -146.12 149.04 33.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -0.911 . . . . 74.11 110.142 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 72' ' ' PHE . 11.5 p90 -159.31 152.08 21.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.286 -0.884 . . . . 71.24 110.205 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 1.7 m-70 -88.59 155.78 19.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 75.14 110.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 38' ' ' ALA . 2.7 t -125.85 131.19 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 51.23 109.984 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -109.33 117.93 35.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.94 . . . . 73.21 110.338 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.626 ' HB2' HD22 ' A' ' 36' ' ' LEU . 82.4 p -110.04 170.79 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.196 -0.94 . . . . 64.5 110.351 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -70.63 -13.37 62.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.318 -0.864 . . . . 72.41 110.137 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -103.35 -23.65 13.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 73.33 110.586 -179.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HD2' ' HG2' ' A' ' 106' ' ' PRO . 4.3 ttmt 175.44 -169.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 73.41 110.414 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.2 141.62 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 70.34 109.83 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.69 43.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 75.41 110.581 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 HD21 ' CE1' ' A' ' 84' ' ' HIS . 20.6 tp -113.37 129.84 56.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 75.14 109.431 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 103' ' ' VAL . 58.5 t -110.45 133.35 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 62.34 111.067 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.595 ' CE1' HD21 ' A' ' 82' ' ' LEU . 6.2 m80 -129.2 120.38 25.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 75.44 109.344 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.629 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 pp -130.67 152.03 50.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.035 -1.04 . . . . 72.44 110.996 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -127.92 123.35 34.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.455 -0.778 . . . . 71.24 109.468 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.67 150.8 42.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.027 -1.045 . . . . 60.44 111.266 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -134.74 145.28 48.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.691 -0.631 . . . . 72.43 109.357 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 15.1 pt-20 -84.46 139.57 32.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.07 -1.019 . . . . 72.04 110.236 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.83 148.44 28.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 74.02 110.398 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.99 -155.36 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 72.01 110.456 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -116.32 163.73 15.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.353 -0.842 . . . . 74.43 109.829 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 46.91 40.93 9.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.119 -0.988 . . . . 75.52 109.747 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.84 153.21 48.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.38 -0.825 . . . . 75.24 109.783 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -73.6 158.25 86.58 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.184 -0.948 . . . . 64.24 109.881 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -65.34 145.21 82.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.961 1.506 . . . . 74.23 110.044 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 137.84 51.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 42.33 110.322 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 85' ' ' LEU . 77.0 m-85 -83.16 138.66 33.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 63.53 109.814 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.446 HD13 ' HG2' ' A' ' 88' ' ' LYS . 4.8 pt -122.92 -17.28 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.086 -1.009 . . . . 71.45 110.519 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -153.53 129.26 10.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.942 . . . . 75.33 110.117 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.622 ' HE3' ' HB3' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.22 123.79 9.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 62.53 110.197 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 84' ' ' HIS . 34.8 p90 -147.41 154.5 40.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -0.922 . . . . 74.3 110.466 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.842 HG22 HG22 ' A' ' 83' ' ' VAL . 93.3 t -123.52 147.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 62.53 110.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.16 115.15 29.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.173 -0.955 . . . . 64.45 110.167 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.63 129.24 27.13 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.878 . . . . 71.42 110.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 19.6 Cg_endo -64.39 126.15 16.41 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.892 1.469 . . . . 63.21 110.208 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.43 -18.11 20.58 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.087 -1.205 . . . . 61.54 110.087 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.437 ' OE2' HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -118.77 170.07 9.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.244 . . . . 70.1 110.565 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -83.42 143.27 30.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 73.14 110.208 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 5.6 ptt180 -66.73 135.9 54.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 62.53 110.459 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.701 ' CD2' HD11 ' A' ' 23' ' ' LEU . 3.1 t80 -107.15 132.22 53.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.889 . . . . 60.05 109.996 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 18.9 p90 -87.2 131.18 34.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -0.896 . . . . 63.14 110.429 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.523 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -82.87 -41.24 19.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 42.33 109.682 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 65.4 mt -111.79 -82.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.805 . . . . 72.11 109.977 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 112' ' ' TYR . 1.3 ttpt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 35.15 110.22 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.512 -1.435 . . . . 53.12 109.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -96.44 19.59 11.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.199 -1.177 . . . . 73.35 110.048 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.43 -45.96 88.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.193 -0.942 . . . . 64.13 110.151 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.428 HG22 ' ND2' ' A' ' 8' ' ' ASN . 96.6 m -58.11 -49.68 76.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 55.02 109.962 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.01 -30.52 35.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 62.04 109.908 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -41.93 99.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 64.32 110.023 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.57 -33.48 58.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.284 -0.885 . . . . 75.13 109.763 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 4' ' ' THR . 12.3 m-80 -54.86 -45.93 74.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 73.31 110.115 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 12.5 ptm180 -74.12 -33.61 63.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 73.14 110.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.55 -43.52 72.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 42.34 109.832 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.943 HG21 ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -66.23 -33.86 66.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.188 -0.945 . . . . 42.13 109.956 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 6.5 t -65.79 -43.65 88.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 75.13 110.403 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.8 ptp -70.31 -31.72 69.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 42.33 110.189 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 13' ' ' MET . 27.3 t -75.22 -47.12 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.192 -0.942 . . . . 70.44 110.613 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.783 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.6 pp20? -62.47 -27.22 68.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.22 -0.925 . . . . 71.21 110.332 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -94.26 -17.02 23.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.093 -1.004 . . . . 75.33 110.041 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -48.84 115.72 1.37 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.857 . . . . 74.45 110.243 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -58.8 -29.38 66.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.896 . . . . 74.1 109.945 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -67.88 -48.48 65.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 72.52 109.911 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.433 HD11 ' CD1' ' A' ' 111' ' ' TYR . 22.7 mm -70.31 -37.76 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 60.32 109.829 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' GLN . 16.5 ttm180 -51.12 -35.43 35.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 73.44 109.814 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -61.65 -40.98 96.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 73.35 109.965 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.54 -35.61 65.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.311 -0.868 . . . . 74.45 109.812 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -95.51 0.99 53.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.559 -0.713 . . . . 63.5 110.925 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . 45.7 mt-30 51.46 36.02 15.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 73.11 109.534 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 27' ' ' ASP . 10.0 t -76.57 164.66 25.72 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.388 -0.82 . . . . 70.14 110.439 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m-20 -130.28 165.81 21.67 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 70.53 109.775 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 53.1 t0 -176.71 80.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.12 -0.988 . . . . 64.12 110.243 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.26 168.47 31.42 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.518 -1.433 . . . . 54.44 109.518 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.4 tt -61.08 -19.65 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -1.091 . . . . 73.31 110.144 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -91.95 -17.48 25.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 75.02 110.115 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.62 128.17 1.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.502 -1.439 . . . . 54.35 109.502 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -124.0 127.2 47.56 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -1.164 . . . . 73.23 110.204 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CB ' ' H ' ' A' ' 27' ' ' ASP . 46.0 tp10 -103.1 139.44 38.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.235 -0.916 . . . . 74.14 110.121 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -117.24 123.69 47.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.246 -0.909 . . . . 73.24 110.153 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 15' ' ' GLU . 13.3 mt -108.41 146.46 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.871 . . . . 74.04 110.34 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -116.29 132.61 56.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 75.42 110.264 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.943 ' HB3' HG21 ' A' ' 11' ' ' VAL . . . -142.17 152.36 43.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 71.24 110.158 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.74 168.93 25.93 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 72.22 110.303 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.64 -150.27 0.03 OUTLIER Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.819 -1.312 . . . . 73.2 109.819 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 19.4 pt-20 -81.79 130.84 35.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -1.08 . . . . 62.21 110.322 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD13 ' HD3' ' A' ' 52' ' ' ARG . 1.8 tt -174.13 128.69 0.37 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 61.54 110.177 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 44' ' ' THR . 3.2 pt -131.37 -168.01 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.204 -0.935 . . . . 65.34 110.378 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 4.4 m 65.94 36.63 5.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.413 -0.804 . . . . 73.31 110.358 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 44' ' ' THR . 45.0 m-20 58.03 128.92 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.461 -0.774 . . . . 75.35 110.736 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 58.0 p-10 -85.6 168.36 14.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 71.21 110.21 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -117.03 -170.66 1.88 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.219 -0.926 . . . . 41.41 109.932 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -118.19 -12.5 9.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 74.12 110.162 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -93.87 164.83 12.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 70.3 110.09 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' THR . 5.2 mtm180 55.12 -164.43 0.12 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.277 -0.889 . . . . 75.35 110.173 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.21 163.61 39.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.217 -0.927 . . . . 72.14 110.368 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HD3' HD13 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -123.85 124.42 26.07 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 64.41 110.097 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.07 159.63 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 O-C-N 123.897 1.472 . . . . 74.25 111.158 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 54' ' ' ILE . 20.8 mm -104.16 140.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.515 -0.741 . . . . 74.32 109.402 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.0 p -95.26 145.45 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.901 -1.124 . . . . 75.15 110.844 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.61 150.3 51.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.75 -0.594 . . . . 75.42 110.04 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 16.6 p -110.67 147.78 33.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.855 . . . . 62.13 110.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 2.0 ptmt -129.35 131.78 46.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.906 . . . . 75.33 110.297 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.74 126.0 14.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.374 -0.829 . . . . 61.22 110.132 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -94.05 136.47 34.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.314 -0.866 . . . . 61.21 110.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.56 -165.5 1.32 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.192 -0.942 . . . . 72.3 110.291 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -14.02 62.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.427 -0.796 . . . . 70.55 110.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.76 -11.09 40.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.343 -0.848 . . . . 72.14 110.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.34 19.28 46.25 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.7 -1.36 . . . . 64.41 109.7 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 2.2 ttp180 -96.62 123.13 40.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -1.22 . . . . 73.3 110.207 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.51 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 99.2 m -76.55 134.86 39.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 74.01 110.245 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.6 m170 -109.38 147.95 31.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.295 -0.878 . . . . 73.44 110.095 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 57' ' ' THR . 11.8 m-70 -123.67 136.99 54.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 74.3 110.447 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 29.9 m-85 -123.35 124.61 43.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.899 . . . . 73.21 110.02 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 tpp -143.65 145.42 32.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.892 . . . . 74.25 110.342 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -150.34 152.11 33.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 73.13 110.252 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 2.5 p90 -153.94 152.94 31.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.264 -0.898 . . . . 63.13 110.104 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.68 ' CE1' HD11 ' A' ' 82' ' ' LEU . 10.9 m-70 -93.04 158.67 15.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 71.43 110.505 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 38' ' ' ALA . 30.6 t -128.45 130.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 44.4 109.752 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -104.47 123.62 47.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 63.43 110.684 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.449 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 18.8 t -117.01 168.94 9.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.431 -0.793 . . . . 63.22 109.914 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.88 -13.58 60.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 62.12 110.429 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.87 -28.21 12.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 72.11 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 24' ' ' LEU . 2.6 ptpt -178.22 -175.23 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.145 -0.972 . . . . 75.53 110.312 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 8.6 mt -114.75 143.83 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 63.04 110.046 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.93 156.09 46.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 60.45 110.662 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.68 HD11 ' CE1' ' A' ' 73' ' ' HIS . 1.4 tt -119.11 125.35 49.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.444 -0.785 . . . . 62.55 109.713 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 93.8 t -111.7 133.68 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.351 -0.843 . . . . 64.43 111.159 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 71' ' ' ARG . 2.8 t-80 -130.64 128.49 41.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.534 -0.728 . . . . 73.31 109.626 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.91 153.09 48.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 73.25 110.934 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.42 130.21 52.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -0.788 . . . . 44.52 109.753 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -127.36 142.1 51.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 54.52 110.581 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HE2' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -129.79 144.61 51.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 75.35 110.535 -179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -91.21 129.83 37.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.87 . . . . 75.43 109.783 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -114.17 128.28 56.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.145 -0.972 . . . . 71.13 110.721 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 92' ' ' GLN . 1.1 tmmt? 39.05 -89.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.673 -0.642 . . . . 75.34 111.048 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' SER . 2.7 tt0 -103.59 -145.59 0.37 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.652 -1.28 . . . . 52.44 110.303 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 95' ' ' GLN . 20.4 m120 57.74 73.15 0.48 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.201 -0.937 . . . . 73.21 109.694 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 94' ' ' TYR . 1.3 t80 -41.02 -28.7 0.09 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.102 0.953 . . . . 73.51 110.566 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -85.99 114.34 56.58 Favored Pre-proline 0 C--N 1.281 -2.373 0 O-C-N 121.791 -0.568 . . . . 53.5 109.982 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.463 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 24.7 Cg_exo -58.02 163.09 10.18 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 O-C-N 124.031 1.542 . . . . 71.33 110.07 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.22 133.93 54.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 73.12 110.491 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 85' ' ' LEU . 26.4 m-85 -60.65 130.32 45.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.355 -0.84 . . . . 74.34 110.223 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 pt -118.6 -14.02 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 74.13 110.075 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -154.78 129.7 9.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.31 -0.869 . . . . 70.24 109.853 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.874 ' HB2' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -148.53 121.13 8.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 55.4 110.623 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 112' ' ' TYR . 53.5 p90 -147.43 152.47 38.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.23 -0.919 . . . . 75.44 110.376 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.8 p -119.22 148.04 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 71.35 110.029 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -112.1 124.94 53.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 62.04 110.372 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.11 126.93 28.22 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 70.55 109.892 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' CD ' ' O ' ' A' ' 80' ' ' ILE . 38.9 Cg_exo -55.78 126.46 22.52 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.883 1.465 . . . . 63.51 110.552 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.08 -19.98 18.86 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.189 -1.164 . . . . 73.44 110.189 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 170.0 9.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.954 -1.321 . . . . 61.05 110.713 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -81.34 149.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.88 . . . . 75.21 110.103 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 16.4 ptp180 -71.24 143.91 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 62.44 110.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 15.7 t80 -111.47 132.97 54.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.249 -0.907 . . . . 73.41 110.259 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.5 p90 -84.3 129.81 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -0.913 . . . . 74.31 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -88.17 -33.95 18.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -0.906 . . . . 74.15 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 101' ' ' MET . 89.7 mt -111.69 -52.77 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 60.14 110.135 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 112' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 62.33 110.273 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.481 -1.448 . . . . 74.32 109.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.52 20.38 14.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -1.168 . . . . 73.32 110.191 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' OD1' ' HB ' ' A' ' 54' ' ' ILE . 2.1 p30 -57.53 -39.28 76.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 73.24 110.073 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 20.9 m -68.74 -34.07 74.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.882 . . . . 72.24 109.845 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.44 -37.59 83.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 73.31 110.04 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -42.28 76.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 74.24 110.165 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.38 -33.23 58.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.291 -0.881 . . . . 75.24 109.922 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.28 -49.75 75.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 72.31 110.678 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.3 ptm180 -68.21 -33.42 74.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.136 -0.978 . . . . 74.21 110.588 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -69.12 -42.27 76.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.165 -0.959 . . . . 41.45 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.59 HG21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -72.62 -31.2 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 73.31 109.977 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -53.89 -48.63 69.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.257 -0.902 . . . . 75.13 110.062 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 4.1 ptm -71.71 -30.6 65.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 50.32 109.794 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 13' ' ' MET . 20.1 t -72.49 -39.54 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.432 -0.793 . . . . 54.13 110.87 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -80.45 -20.76 43.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.168 -0.957 . . . . 74.33 110.772 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -96.62 -15.72 21.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.086 -1.009 . . . . 74.41 110.525 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.672 ' OD1' HD11 ' A' ' 113' ' ' LEU . 1.9 t30 -47.02 124.23 6.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.198 -0.939 . . . . 71.34 110.248 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 9.5 mmtm -66.04 -35.34 80.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.16 -0.962 . . . . 64.44 110.145 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -66.73 -45.26 79.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.244 -0.91 . . . . 74.44 110.0 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 50.4 mm -67.16 -32.54 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 72.32 110.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -57.58 -33.19 67.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.225 -0.922 . . . . 73.45 109.81 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.542 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -64.95 -40.85 95.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.323 -0.861 . . . . 72.15 109.842 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . 38.7 mt -73.5 -37.11 65.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 74.25 109.428 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' SG ' ' A' ' 26' ' ' CYS . 14.3 tp -84.39 -0.96 54.67 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 72.52 110.264 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 50.95 31.5 6.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 73.32 110.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.788 ' SG ' HD23 ' A' ' 24' ' ' LEU . 18.5 m -75.86 176.22 8.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 65.23 110.401 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -125.85 168.07 14.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 54.53 110.071 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -178.34 91.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 54.21 110.204 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 163.0 26.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.407 -1.477 . . . . 72.13 109.407 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.8 tp -61.1 -18.06 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 64.33 110.206 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.09 -17.68 21.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 75.52 109.908 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.46 ' C ' ' HE2' ' A' ' 33' ' ' LYS . . . -167.47 133.39 2.89 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.276 -1.53 . . . . 73.13 109.276 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CE ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -129.03 130.6 46.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -1.164 . . . . 70.15 110.127 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 143.11 35.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 62.14 110.541 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -120.44 123.88 44.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.478 -0.764 . . . . 54.03 109.644 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 26' ' ' CYS . 16.6 mt -107.35 146.52 31.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 74.1 110.555 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 140.78 51.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.378 -0.826 . . . . 72.1 110.245 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -130.09 164.22 24.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 70.45 110.144 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.588 ' CD2' HG21 ' A' ' 43' ' ' ILE . 8.6 p90 -156.59 165.71 35.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.253 -0.904 . . . . 63.44 110.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -57.55 -159.78 0.02 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.641 -1.383 . . . . 72.34 109.641 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -104.33 10.18 35.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.235 -1.156 . . . . 74.23 110.21 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.13 56.26 3.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 71.34 110.125 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' A' ' 39' ' ' TYR . 1.2 pp -129.34 177.39 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.294 -0.879 . . . . 73.51 110.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.5 t -143.14 -33.68 0.44 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.266 -0.897 . . . . 64.32 110.605 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 8.7 t30 -143.8 26.59 1.55 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.113 -0.992 . . . . 75.45 110.408 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER 66.48 132.75 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.179 -0.951 . . . . 74.53 110.334 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -178.44 -151.64 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.436 -0.79 . . . . 71.33 110.039 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -122.72 -12.09 8.12 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.186 -0.946 . . . . 75.52 109.888 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 48' ' ' TRP . 33.9 p 43.0 -166.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.301 -0.874 . . . . 63.51 110.392 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.65 63.64 1.2 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 74.11 110.126 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.44 74.0 0.46 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.374 -0.829 . . . . 74.52 110.144 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 141.77 34.07 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 61.44 110.234 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -68.6 159.66 52.64 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 123.953 1.502 . . . . 74.02 110.132 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' ' HA3' ' A' ' 40' ' ' GLY . 20.2 mm -113.4 138.49 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.279 -0.888 . . . . 64.12 110.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.2 t -96.58 139.17 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.857 . . . . 70.11 110.09 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 p -123.49 149.32 45.3 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.268 -0.895 . . . . 73.05 110.248 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 43.5 p -107.38 139.22 42.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.296 -0.878 . . . . 64.22 110.198 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -126.13 127.02 45.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 73.14 110.202 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 129.24 28.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 75.22 109.874 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 1.9 pp -97.15 136.73 37.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.184 -0.947 . . . . 45.33 110.388 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.13 -176.08 5.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 74.21 109.892 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -15.64 10.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.165 -0.96 . . . . 73.34 110.041 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.86 -13.07 58.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 63.31 110.181 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 7.13 76.83 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.764 -1.334 . . . . 63.15 109.764 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 10.2 ttm180 -91.18 121.78 33.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.236 . . . . 75.34 110.03 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 58' ' ' LYS . 70.8 m -76.5 131.61 39.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 61.15 110.585 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 31.3 m170 -105.93 142.82 34.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.325 -0.859 . . . . 70.41 109.801 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 57' ' ' THR . 3.4 m-70 -116.83 137.21 52.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 73.42 110.452 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.573 ' CD2' ' N ' ' A' ' 69' ' ' TYR . 18.5 m-85 -123.73 127.6 48.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 65.45 110.147 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.16 129.31 31.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 75.31 110.32 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.68 144.45 41.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -0.959 . . . . 74.25 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 3.2 p90 -153.33 159.67 42.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 65.42 109.865 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.555 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 7.8 m-70 -98.01 157.52 16.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 65.4 110.759 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 38' ' ' ALA . 78.6 t -123.92 140.43 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.471 -0.768 . . . . 72.33 109.488 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' OE2' ' OD1' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -107.96 126.99 53.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.031 -1.043 . . . . 74.13 110.777 -179.443 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.455 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.93 177.08 4.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 65.14 109.752 179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -79.72 -13.48 59.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 75.24 110.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -24.24 11.95 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.113 -0.992 . . . . 64.21 110.676 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -175.84 -160.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.03 -1.044 . . . . 74.42 110.552 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 80' ' ' ILE . 5.5 mt -129.91 133.59 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 74.42 109.95 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.92 157.54 25.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.121 -0.987 . . . . 75.24 110.507 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.658 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -112.92 136.73 52.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 71.23 109.513 179.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 73.2 t -110.94 135.48 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.193 -0.942 . . . . 72.23 110.735 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.631 ' CD2' HD22 ' A' ' 82' ' ' LEU . 10.6 m-70 -129.38 117.77 21.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.391 -0.818 . . . . 73.4 109.909 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 85' ' ' LEU . 3.8 pp -129.36 152.62 48.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 60.23 110.252 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 tt0 -131.49 132.04 43.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 73.22 110.258 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . . . -128.0 147.68 50.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 75.21 109.899 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 99' ' ' ILE . 1.5 ptmm? -134.29 144.23 48.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.153 -0.967 . . . . 61.43 110.574 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -86.53 135.15 33.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.444 -0.785 . . . . 61.05 110.117 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 91' ' ' LYS . 84.2 p -129.84 139.4 51.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.124 -0.985 . . . . 62.45 110.57 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 90' ' ' SER . 18.7 tptm 57.76 124.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.392 -0.818 . . . . 71.22 110.959 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 91' ' ' LYS . 4.0 tt0 41.55 -160.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.304 -0.873 . . . . 73.22 110.409 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' TYR . 1.3 m-80 -88.38 24.43 1.92 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 75.43 109.979 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -44.11 161.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 65.24 110.095 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.496 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 91.4 mm-40 -70.1 140.79 88.48 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.186 -0.946 . . . . 75.52 110.105 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 95' ' ' GLN . 17.1 Cg_exo -62.63 144.95 95.05 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.942 1.496 . . . . 65.41 110.434 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -111.54 128.77 56.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 63.32 109.87 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 29.4 m-85 -58.66 123.88 17.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.98 . . . . 65.34 110.021 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.786 HG21 ' HD3' ' A' ' 88' ' ' LYS . 6.3 pt -111.93 -14.98 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 64.55 110.159 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 71.2 m-80 -149.05 128.9 13.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 70.23 109.931 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.73 ' CB ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -149.62 119.66 7.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 73.33 110.608 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 49.7 p90 -147.52 163.87 35.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 72.52 109.952 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 82' ' ' LEU . 80.7 t -127.1 151.61 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 73.54 110.475 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -109.55 118.3 36.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.483 -0.761 . . . . 72.23 110.126 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.73 127.68 26.56 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 74.22 110.179 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.37 131.16 18.49 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.883 1.465 . . . . 73.22 110.534 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.84 -19.57 28.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.035 -1.226 . . . . 70.33 110.035 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -117.14 168.46 10.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.034 -1.274 . . . . 53.32 110.453 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.4 135.05 36.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 75.41 110.076 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -55.46 133.73 50.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.91 . . . . 72.51 110.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.534 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.2 t80 -119.97 111.57 18.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 73.04 110.096 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 102' ' ' TYR . 43.4 p90 -75.94 144.44 41.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.111 -0.993 . . . . 73.25 110.195 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.672 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -94.4 -48.23 6.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.942 . . . . 64.51 110.523 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.73 HD12 ' CB ' ' A' ' 101' ' ' MET . 91.9 mt -101.45 -73.88 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 74.45 110.299 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' CB ' ' CD1' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.127 -0.983 . . . . 72.1 110.211 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.578 -1.409 . . . . 64.44 109.578 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -104.35 2.48 31.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -1.144 . . . . 74.15 110.167 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.49 -40.75 76.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 70.45 110.195 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -55.9 -46.83 78.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 72.21 110.238 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 37.5 mt-30 -60.92 -35.57 77.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.312 -0.867 . . . . 71.43 109.934 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.85 -46.11 71.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.399 -0.813 . . . . 72.31 109.89 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.637 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.41 -33.17 64.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.35 -0.844 . . . . 74.41 109.608 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' SER . 31.3 m-20 -53.61 -48.83 68.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 72.25 110.375 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.7 ptm180 -72.09 -33.35 67.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 75.41 110.351 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.37 -45.98 61.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 45.22 109.545 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' CE2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -71.21 -32.99 49.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.387 -0.821 . . . . 70.2 109.921 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 30.5 t -59.4 -50.64 73.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 73.2 110.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 15.1 ptp -65.23 -31.59 72.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 73.04 109.854 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.687 HG21 ' HE3' ' A' ' 101' ' ' MET . 40.9 t -74.06 -51.71 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 60.42 110.344 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.3 pt-20 -62.55 -21.46 65.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 65.44 110.117 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -102.22 -14.38 17.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 71.11 109.838 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 1.7 t30 -42.0 128.68 3.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.406 -0.809 . . . . 62.11 110.527 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -66.46 -45.05 81.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 74.23 109.764 179.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.16 92.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.739 -0.601 . . . . 71.1 110.359 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 48.2 mm -72.32 -32.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.932 . . . . 71.4 109.878 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 2.1 ttt-85 -51.14 -37.78 48.2 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.911 . . . . 73.04 109.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -29.51 67.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.402 -0.811 . . . . 71.21 109.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ILE . 51.3 mt -73.4 -45.14 56.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 73.33 109.454 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 81' ' ' ALA . 1.2 mm? -87.4 -9.73 53.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.448 -0.783 . . . . 74.14 110.0 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.3 mt-30 57.57 31.6 20.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.262 -0.899 . . . . 75.43 110.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -89.17 175.9 7.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 75.42 110.22 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -100.25 150.65 22.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 71.11 110.573 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 28' ' ' ASP . 40.7 t0 -173.45 75.89 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.365 -0.835 . . . . 70.13 110.107 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -146.71 175.39 26.15 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.559 -1.416 . . . . 54.2 109.559 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 tt -65.65 -21.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.286 -1.126 . . . . 73.3 110.445 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -87.52 -23.0 24.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.195 -0.941 . . . . 74.41 110.19 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' C ' ' HG3' ' A' ' 33' ' ' LYS . . . -176.77 136.06 3.06 Favored Glycine 0 N--CA 1.485 1.922 0 C-N-CA 119.453 -1.356 . . . . 61.01 109.769 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -128.32 156.95 42.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.336 -1.096 . . . . 70.41 109.967 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB2' ' H ' ' A' ' 27' ' ' ASP . 15.0 tp10 -105.96 142.95 34.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 51.14 110.264 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 121.87 40.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.355 -0.841 . . . . 74.1 110.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 15' ' ' GLU . 10.7 mt -110.09 147.25 33.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 74.3 110.859 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -114.88 134.72 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 64.14 110.307 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.841 ' CB ' HG22 ' A' ' 74' ' ' VAL . . . -140.08 160.21 40.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 71.24 110.232 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 8.0 p90 -150.81 171.68 16.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 73.21 110.245 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -79.13 -168.69 35.78 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.735 -1.346 . . . . 72.4 109.735 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -145.18 136.84 25.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.42 -1.047 . . . . 51.14 110.255 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.05 108.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 75.11 110.284 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' ' HB ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -145.41 136.73 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.877 . . . . 64.33 110.155 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 14.5 t -178.36 32.9 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.365 -0.834 . . . . 63.03 110.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -154.18 -151.61 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.178 -0.951 . . . . 61.2 110.279 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' LYS . 2.3 m-20 -123.83 147.15 47.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.074 -1.016 . . . . 64.11 110.581 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' ASP . 10.4 mmtp 40.73 -159.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.465 -0.772 . . . . 74.51 110.876 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 11.7 m0 48.68 48.08 20.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.512 -0.743 . . . . 63.3 110.427 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -120.08 -80.0 0.61 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.514 -0.741 . . . . 74.51 109.417 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.528 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.48 65.08 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.227 0.537 . . . . 74.54 111.791 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER 64.64 86.99 0.12 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.088 -1.008 . . . . 73.01 110.188 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.11 166.35 31.84 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.194 -0.941 . . . . 74.13 110.522 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.6 160.19 49.18 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.158 1.609 . . . . 74.34 110.478 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 54' ' ' ILE . 23.9 mm -81.01 130.57 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.797 . . . . 53.52 110.432 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.428 ' HB ' HD13 ' A' ' 42' ' ' LEU . 7.0 t -114.76 149.73 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.338 -0.851 . . . . 71.22 109.937 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.6 144.43 50.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.244 -0.91 . . . . 61.31 110.385 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -103.5 141.93 35.15 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.257 -0.902 . . . . 65.44 110.368 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -131.39 125.99 34.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 74.42 110.182 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -128.66 135.86 49.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 65.01 110.182 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.18 136.83 54.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 62.05 110.231 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -171.89 2.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 25.32 110.259 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -61.72 -15.99 45.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 54.02 110.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.91 -13.24 59.52 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.107 -0.996 . . . . 74.14 110.244 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.83 11.54 82.62 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.535 -1.426 . . . . 74.2 109.535 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.1 ttt180 -83.93 123.81 30.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -1.113 . . . . 73.32 109.946 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.459 ' HB ' ' HG2' ' A' ' 89' ' ' GLU . 18.2 m -81.48 134.21 35.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.258 -0.901 . . . . 73.23 110.71 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.606 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.13 142.38 47.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.462 -0.774 . . . . 74.21 109.606 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 70' ' ' MET . 7.8 t-80 -128.53 138.83 52.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.081 -1.012 . . . . 62.42 110.75 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.08 126.14 46.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.437 -0.79 . . . . 54.4 109.503 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.48 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -137.19 135.12 37.01 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.011 -1.055 . . . . 73.44 110.682 -179.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' HD3' ' CE1' ' A' ' 84' ' ' HIS . 1.8 ptt180 -144.57 152.28 40.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.388 -0.82 . . . . 75.01 109.71 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.5 p90 -156.55 164.47 38.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.042 -1.036 . . . . 72.24 110.28 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.758 ' ND1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -104.99 147.81 27.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.85 . . . . 73.22 110.52 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.841 HG22 ' CB ' ' A' ' 38' ' ' ALA . 66.5 t -125.37 131.13 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 74.31 109.567 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.486 ' HG2' HG13 ' A' ' 80' ' ' ILE . 1.5 tt0 -108.53 132.53 53.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.114 -0.992 . . . . 70.3 110.824 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' HD23 ' A' ' 36' ' ' LEU . 1.5 m -116.49 171.71 7.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.327 -0.858 . . . . 74.32 109.813 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -73.92 -15.81 61.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.082 -1.011 . . . . 74.2 110.246 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -103.86 -29.44 10.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -0.95 . . . . 74.12 110.342 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 2.4 mtmt -170.67 -170.89 0.96 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.325 -0.859 . . . . 75.42 110.326 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 80' ' ' ILE . 5.2 mp -125.86 143.38 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.88 . . . . 74.22 110.051 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -131.23 155.18 47.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 44.42 110.513 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 72' ' ' PHE . 15.2 tp -113.33 133.87 54.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 52.34 109.642 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 72' ' ' PHE . 20.9 t -106.49 136.18 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.082 -1.011 . . . . 75.52 110.858 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -130.07 120.14 24.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.522 -0.737 . . . . 65.12 109.65 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.28 154.0 50.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.051 -1.031 . . . . 53.41 110.859 -179.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.686 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.32 136.04 49.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.433 -0.792 . . . . 62.25 109.721 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -129.55 133.17 47.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.059 -1.026 . . . . 53.24 110.501 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.606 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 10.2 ptmt -134.53 143.77 47.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 72.33 110.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 93' ' ' ASN . 0.9 OUTLIER -89.3 138.47 31.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 74.3 110.395 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.0 p -130.42 137.95 50.09 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.157 -0.964 . . . . 72.24 110.802 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 65.35 -73.23 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 70.2 111.155 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -90.78 143.43 26.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.044 . . . . 72.25 110.568 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 16.9 m-80 -88.88 51.18 2.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 73.02 110.045 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -144.87 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.855 . . . . 63.44 110.106 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -66.71 134.58 94.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 62.13 109.562 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 12.3 Cg_endo -69.76 148.23 64.61 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.916 1.482 . . . . 73.23 110.423 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.59 138.3 38.77 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.28 -0.887 . . . . 63.44 110.091 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -62.31 132.47 52.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.371 -0.83 . . . . 75.11 110.274 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.536 HG21 ' HD3' ' A' ' 88' ' ' LYS . 1.6 pt -118.41 -15.52 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.233 -0.917 . . . . 73.44 109.976 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 76.0 m-20 -150.78 131.15 13.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 75.44 109.797 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.687 ' HE3' HG21 ' A' ' 14' ' ' VAL . 1.8 tpt -148.54 118.84 7.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.133 -0.979 . . . . 71.31 110.672 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 84' ' ' HIS . 15.0 p90 -148.6 157.6 43.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 72.52 110.134 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 80.9 t -121.6 155.38 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.197 -0.939 . . . . 75.43 110.214 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -123.99 121.26 34.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 65.14 110.463 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 108' ' ' GLU . 2.6 p -118.7 128.73 25.8 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 52.53 109.881 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 105' ' ' VAL . 16.6 Cg_exo -62.73 130.89 31.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 123.872 1.459 . . . . 71.53 111.025 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.82 -17.08 33.13 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.426 -1.07 . . . . 73.02 110.426 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 105' ' ' VAL . 2.0 mm-40 -118.18 164.11 15.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.011 -1.288 . . . . 75.13 110.609 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 120.63 25.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.848 . . . . 70.03 110.168 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 2.5 ptm180 -55.44 139.84 42.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.237 -0.914 . . . . 74.33 110.024 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -117.13 132.96 56.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 74.01 110.145 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 115' ' ' LYS . 21.7 p90 -80.94 137.9 36.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 72.53 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.518 ' CB ' ' HG3' ' A' ' 101' ' ' MET . 0.2 OUTLIER -90.86 -36.84 13.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 72.21 109.97 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 101' ' ' MET . 77.6 mt -123.32 -43.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.169 -0.957 . . . . 70.43 110.178 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.54 ' C ' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 54.21 110.213 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.44 -1.464 . . . . 74.24 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.09 45.77 1.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -1.089 . . . . 63.54 110.222 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 0.8 OUTLIER -57.59 -38.06 74.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 75.51 109.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 8' ' ' ASN . 7.1 m -59.63 -51.76 68.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 73.21 109.918 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.462 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 23.1 mt-30 -52.66 -33.1 45.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 74.51 109.809 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.38 83.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 74.21 109.831 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.99 -33.39 57.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.36 -0.837 . . . . 74.04 109.66 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 5' ' ' GLN . 8.8 m-80 -59.22 -47.91 83.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 75.05 110.643 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 14.6 ptm180 -69.26 -32.59 71.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.126 -0.984 . . . . 75.41 110.467 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -71.33 -41.83 69.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 74.11 110.019 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.046 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -72.0 -30.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.289 -0.882 . . . . 63.01 109.911 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.14 -49.27 78.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 63.12 110.252 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 16.8 ptt? -69.19 -31.21 69.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 71.12 109.825 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 101' ' ' MET . 37.3 t -72.53 -41.59 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.382 -0.823 . . . . 71.21 110.438 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' SER . 11.2 pt-20 -73.03 -19.96 61.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.164 -0.96 . . . . 74.15 110.393 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG2' ' HA ' ' A' ' 13' ' ' MET . 15.8 ptmt -105.98 -14.09 15.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.122 -0.986 . . . . 63.41 109.838 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.6 t-20 -46.69 131.0 11.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.815 . . . . 73.34 110.523 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 34.1 mtpt -66.53 -44.88 81.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.28 -0.887 . . . . 65.02 110.044 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 23.6 m-20 -55.78 -44.07 77.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 65.33 110.14 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 111' ' ' TYR . 25.2 mm -73.72 -32.82 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.291 -0.88 . . . . 73.24 110.269 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.618 ' HG3' ' N ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -50.6 -32.11 17.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 61.31 109.91 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.618 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.1 m -68.91 -37.88 79.23 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.463 -0.773 . . . . 73.35 109.747 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 111' ' ' TYR . 9.8 mt -73.64 -41.7 62.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 64.33 110.119 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 36' ' ' LEU . 1.1 mt -83.71 -7.7 59.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 53.33 110.4 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.8 31.52 3.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 62.2 110.007 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.458 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 22.0 p -81.33 139.95 35.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 62.55 110.065 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 7.7 m-20 -85.34 -175.62 5.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.339 -0.851 . . . . 64.03 110.157 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 174.73 93.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 64.24 110.057 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -160.71 163.73 34.27 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.555 -1.418 . . . . 23.33 109.555 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -24.8 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -1.107 . . . . 53.24 110.416 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 t -82.4 -18.31 42.38 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.187 -0.945 . . . . 74.25 110.19 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.05 127.44 1.17 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.257 -1.537 . . . . 64.14 109.257 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -121.03 121.77 38.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 63.54 110.646 -179.685 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 26' ' ' CYS . 8.0 tp10 -75.84 143.08 42.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 60.23 109.595 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 114.86 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.151 -0.968 . . . . 65.04 109.992 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 76' ' ' SER . 11.6 mt -96.25 146.79 24.4 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.866 . . . . 71.44 110.196 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.44 137.18 54.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.566 -0.709 . . . . 75.31 110.551 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' A' ' 11' ' ' VAL . . . -124.73 161.55 26.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.467 -0.77 . . . . 64.11 109.885 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -160.31 162.79 33.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.965 . . . . 73.3 110.502 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.63 -128.31 1.19 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.676 -1.37 . . . . 73.25 109.676 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 2.2 mt-10 -87.91 -175.69 5.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.335 -1.097 . . . . 71.43 110.369 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 62.8 136.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.927 . . . . 50.45 110.173 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 pt -57.98 -173.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.92 . . . . 73.44 110.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 45' ' ' ASN . 49.2 m -71.28 -84.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.365 -0.834 . . . . 75.14 110.535 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 44' ' ' THR . 11.6 t30 63.39 130.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 73.51 109.898 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -143.31 166.49 24.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.142 -0.974 . . . . 71.12 110.717 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 18.4 mmtp 52.91 174.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.803 . . . . 71.0 110.943 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.575 ' C ' HG22 ' A' ' 49' ' ' THR . 71.4 m95 60.98 7.15 1.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.8 -0.562 . . . . 65.42 111.786 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' C ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 170.46 -177.17 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.789 -1.195 . . . . 75.13 110.91 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' N ' ' OG1' ' A' ' 49' ' ' THR . 2.3 ttp85 -111.66 127.03 55.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 63.23 109.779 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -64.77 158.52 24.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.141 -0.975 . . . . 70.33 110.548 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -80.65 135.23 52.92 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.422 -0.799 . . . . 75.24 110.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.85 159.79 51.47 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 123.992 1.522 . . . . 74.52 110.468 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.823 HG21 ' CE ' ' A' ' 70' ' ' MET . 17.2 mm -80.66 134.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.293 -0.879 . . . . 44.44 110.452 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.75 152.98 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.469 -0.769 . . . . 65.2 109.709 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.543 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 3.9 p -129.93 147.37 51.68 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.058 -1.026 . . . . 71.41 110.621 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 65.1 p -99.98 133.79 43.84 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.457 -0.777 . . . . 73.41 109.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -118.45 124.41 47.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 61.13 110.42 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -127.49 129.09 46.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 70.54 109.626 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.899 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -123.35 145.77 48.48 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.151 -0.968 . . . . 61.23 110.438 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -96.22 -172.27 2.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 64.44 110.059 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -7.52 30.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.279 -0.888 . . . . 74.31 109.767 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -83.78 -14.22 51.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.269 -0.894 . . . . 61.3 110.193 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.19 3.66 67.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.35 -1.1 . . . . 45.05 110.35 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.502 ' NH1' ' HD2' ' A' ' 88' ' ' LYS . 8.7 ttm180 -90.71 121.92 33.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.041 -1.27 . . . . 75.11 110.121 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' A' ' 60' ' ' LEU . 7.1 m -96.4 140.15 31.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.255 -0.903 . . . . 73.14 110.764 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -113.55 148.96 35.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.421 -0.799 . . . . 62.45 109.571 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 t-160 -124.14 140.52 52.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.148 -0.97 . . . . 74.23 110.789 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 59' ' ' LYS . 95.8 m-85 -120.73 120.18 34.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.427 -0.795 . . . . 54.43 109.9 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.823 ' CE ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -135.47 142.78 45.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 75.23 110.368 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -149.97 148.24 28.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -0.869 . . . . 72.22 110.495 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 1.046 ' CE1' HG23 ' A' ' 11' ' ' VAL . 7.9 p90 -148.97 152.52 36.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.297 -0.877 . . . . 75.41 109.99 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' HD13 ' A' ' 82' ' ' LEU . 19.5 m80 -87.67 153.16 21.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 73.44 110.633 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 38' ' ' ALA . 59.7 t -123.77 132.01 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.45 -0.781 . . . . 74.4 109.668 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.36 119.18 34.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.085 -1.009 . . . . 72.44 110.633 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 36' ' ' LEU . 82.8 p -111.31 168.41 9.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.333 -0.855 . . . . 44.12 109.982 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -72.14 -13.94 61.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.905 . . . . 72.35 110.268 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -100.01 -28.65 12.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 75.02 110.512 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -175.69 -157.56 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.098 -1.001 . . . . 72.51 110.2 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 mt -135.31 144.6 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.394 -0.816 . . . . 73.31 109.928 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.51 157.73 45.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.167 -0.958 . . . . 54.44 110.745 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 12.1 tp -116.99 127.5 54.25 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 63.32 109.493 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 24.2 t -106.94 131.53 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.157 -0.964 . . . . 74.24 110.951 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -123.76 122.79 38.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.526 -0.734 . . . . 64.24 109.258 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.8 pp -134.2 149.7 51.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.993 -1.067 . . . . 74.25 111.167 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.33 134.33 52.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.586 -0.696 . . . . 63.15 109.247 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 96' ' ' PRO . . . -116.01 152.26 33.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.961 -1.087 . . . . 64.24 110.724 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' ' NH1' ' A' ' 65' ' ' ARG . 22.5 ttpt -128.67 141.02 51.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.405 -0.809 . . . . 75.03 109.874 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 2.2 pp20? -92.1 130.27 37.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.166 -0.959 . . . . 71.22 110.382 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -129.31 127.74 41.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 75.42 110.179 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' CD ' ' HB2' ' A' ' 92' ' ' GLN . 0.9 OUTLIER 57.19 114.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.895 . . . . 75.1 110.255 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.519 ' HB2' ' CD ' ' A' ' 91' ' ' LYS . 1.4 tt0 64.18 167.42 0.16 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 65.52 110.202 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -94.91 33.36 1.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 64.24 110.122 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -163.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 70.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -70.89 122.85 88.06 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 73.33 110.074 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.606 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 22.1 Cg_exo -58.78 162.08 13.81 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.869 1.457 . . . . 72.21 110.516 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.5 137.34 47.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 61.31 109.998 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.425 ' CE1' HD13 ' A' ' 85' ' ' LEU . 30.9 m-85 -60.66 135.6 57.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 74.13 110.291 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 88' ' ' LYS . 5.1 pt -118.26 -14.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 72.41 109.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 26.4 m120 -156.84 129.79 7.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.422 -0.799 . . . . 63.22 109.738 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.638 ' HE1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -148.24 124.41 10.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.165 -0.959 . . . . 62.24 110.534 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 p90 -147.41 150.89 35.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.359 -0.838 . . . . 74.31 109.997 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 14.5 p -119.4 144.46 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.997 . . . . 62.11 110.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.46 126.54 53.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.233 -0.917 . . . . 72.1 110.476 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -121.26 124.18 27.42 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.255 -0.903 . . . . 71.44 110.182 179.818 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.67 126.99 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.874 1.46 . . . . 72.31 110.323 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.99 -20.16 26.55 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.787 -1.325 . . . . 34.3 109.787 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 105' ' ' VAL . 3.3 mt-10 -118.69 159.34 23.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.236 . . . . 65.21 110.2 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -79.26 146.35 33.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 72.21 109.932 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 23.0 ptt180 -62.67 138.14 58.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 71.12 110.452 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -109.44 133.36 53.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 73.14 110.065 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 115' ' ' LYS . 3.1 p90 -82.52 144.38 30.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 73.12 110.231 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD11 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -101.4 -28.62 12.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 64.54 110.102 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' LYS . 14.0 mt -125.02 -67.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.386 -0.821 . . . . 74.45 110.236 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.33 -0.856 . . . . 71.11 110.151 -179.954 . . . . . . . . 2 2 . 1 stop_ save_