data_1aud_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1aud _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.536 0.615 0 N-CA-C 110.463 -0.63 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -150.52 -177.6 6.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 -43.13 11.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.057 -1.027 . . . . 0.0 109.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 m -105.86 142.03 36.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.097 -1.002 . . . . 0.0 108.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 1.5 pt -106.55 146.8 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.013 -1.054 . . . . 0.0 109.195 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -110.83 123.19 49.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.363 -0.835 . . . . 0.0 109.111 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.87 135.69 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 108.995 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -130.4 -175.23 3.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.951 -1.093 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 63.88 41.57 6.62 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.989 -1.07 . . . . 0.0 109.529 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.6 mt -100.19 -175.18 2.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.066 -1.021 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.46 154.04 35.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.982 -1.074 . . . . 0.0 109.218 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -101.47 37.68 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.954 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -149.51 34.94 0.71 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.902 -1.124 . . . . 0.0 110.108 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 10.6 mm -98.81 150.75 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.837 -1.164 . . . . 0.0 109.86 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -84.24 -178.55 6.97 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -85.04 -38.5 19.1 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.915 -1.116 . . . . 0.0 109.518 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -22.81 52.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.129 -0.982 . . . . 0.0 109.256 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.5 mt-10 -80.08 -42.8 22.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.761 -1.212 . . . . 0.0 110.251 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.25 -36.4 74.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.147 . . . . 0.0 110.171 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.87 -30.69 64.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.853 -1.154 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -71.58 -33.35 68.97 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.753 -1.217 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 68.6 m -75.33 -38.84 59.98 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.735 -1.228 . . . . 0.0 110.007 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.49 -34.74 78.6 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.853 -1.154 . . . . 0.0 110.166 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' O ' ' OG ' ' A' ' 34' ' ' SER . 13.1 t-80 -76.18 -19.26 58.6 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.918 -1.114 . . . . 0.0 111.297 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.62 -39.41 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.441 -1.412 . . . . 0.0 110.297 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -54.93 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 120.903 -1.123 . . . . 0.0 110.617 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 51.1 m-85 -59.78 -36.26 76.34 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.921 -1.112 . . . . 0.0 110.272 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 82.9 p -61.5 -36.44 80.49 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.771 -1.206 . . . . 0.0 109.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -49.56 -38.56 31.62 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.762 -1.211 . . . . 0.0 110.154 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -71.93 -54.02 11.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.982 -1.074 . . . . 0.0 109.304 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.94 -162.36 10.43 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -91.11 135.63 33.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.002 -1.293 . . . . 0.0 109.338 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.99 147.21 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.011 -1.056 . . . . 0.0 109.709 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.0 mt -87.66 -53.87 4.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.088 -1.007 . . . . 0.0 109.31 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.57 166.08 29.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.0 mt -136.13 131.27 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.102 -0.999 . . . . 0.0 108.897 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.48 141.3 48.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.973 -1.079 . . . . 0.0 109.871 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.54 132.25 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.065 -1.022 . . . . 0.0 109.04 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -117.48 149.48 40.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 109.877 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -117.81 39.9 3.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.034 . . . . 0.0 109.742 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 178.36 6.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.983 -1.073 . . . . 0.0 109.078 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.88 -56.83 15.92 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.845 -1.159 . . . . 0.0 109.413 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -59.08 -40.2 84.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.05 -1.032 . . . . 0.0 109.299 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.1 56.65 2.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.045 -1.035 . . . . 0.0 109.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 47.56 0.9 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.873 -1.142 . . . . 0.0 109.128 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.92 60.03 0.02 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -173.73 167.41 4.46 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.09 -1.241 . . . . 0.0 110.539 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.7 8.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.859 -1.151 . . . . 0.0 110.149 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 31.6 m-85 -137.94 133.45 33.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.022 -1.049 . . . . 0.0 109.011 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.424 ' CG1' ' CG1' ' A' ' 11' ' ' ILE . 12.3 p -123.11 139.8 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.95 -1.094 . . . . 0.0 109.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.2 mp -101.8 126.02 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.998 -1.064 . . . . 0.0 108.614 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.4 152.33 18.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -54.03 -39.13 65.88 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.107 -0.996 . . . . 0.0 109.79 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.13 161.34 37.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.004 -1.06 . . . . 0.0 109.809 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.9 -37.51 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.1 -1.0 . . . . 0.0 109.717 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 p -62.42 -37.25 85.09 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.949 -1.094 . . . . 0.0 109.943 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -33.16 67.06 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.875 -1.141 . . . . 0.0 110.608 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.52 -31.52 47.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.699 -1.25 . . . . 0.0 109.762 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 17.8 m -60.88 -41.74 96.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.915 -1.116 . . . . 0.0 109.367 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -72.94 -40.9 65.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.973 -1.08 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.46 62.87 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.945 -1.097 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.36 -35.97 15.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.523 -1.361 . . . . 0.0 110.529 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -63.2 -37.42 87.17 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.876 -1.14 . . . . 0.0 110.155 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.44 -31.98 18.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.896 -1.127 . . . . 0.0 110.568 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -101.41 34.18 2.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.752 -1.217 . . . . 0.0 110.232 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -82.38 93.34 7.17 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.818 -1.176 . . . . 0.0 108.866 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.54 62.68 1.84 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.85 167.35 16.29 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.091 -1.24 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.0 137.38 15.56 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.855 1.703 . . . . 0.0 110.626 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 28' ' ' SER . 9.0 t80 -126.19 -59.73 1.31 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.085 -1.009 . . . . 0.0 108.989 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 4.0 m-85 -118.98 67.44 0.78 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.04 -1.038 . . . . 0.0 109.274 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.49 40.28 17.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.631 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -173.12 152.86 2.35 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 120.977 -1.077 . . . . 0.0 109.955 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.67 146.08 23.66 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.775 1.65 . . . . 0.0 110.472 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 135.77 13.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.072 -1.017 . . . . 0.0 110.193 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -97.63 146.65 25.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 108.847 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.28 137.21 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 110.334 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -123.13 134.99 54.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' ' N ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -50.33 157.61 0.68 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.861 -1.149 . . . . 0.0 110.008 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.78 17.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.993 -1.067 . . . . 0.0 109.691 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -92.04 -39.69 11.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.135 -0.978 . . . . 0.0 109.677 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.1 p -117.38 179.65 3.99 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.974 -1.079 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.97 -176.44 5.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.032 -1.043 . . . . 0.0 109.269 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.06 148.34 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.049 -1.032 . . . . 0.0 109.669 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.8 -26.0 64.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.096 -1.002 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.0 pt -67.09 -39.21 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.548 -1.345 . . . . 0.0 109.063 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.505 2.3 0 O-C-N 120.99 -1.069 . . . . 0.0 109.706 178.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.537 0.65 0 N-CA-C 110.429 -0.643 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.97 -179.76 3.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.121 -0.987 . . . . 0.0 109.561 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.59 -39.27 10.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 m -108.11 135.76 48.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.001 -1.062 . . . . 0.0 109.781 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -94.11 176.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.98 . . . . 0.0 108.806 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 77.4 t80 -147.9 150.18 33.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.026 -1.046 . . . . 0.0 109.721 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.67 144.06 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 0.0 108.797 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -143.86 -175.96 4.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 109.455 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.91 43.89 8.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 109.126 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -99.77 -171.16 2.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 0.0 109.179 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.53 153.1 33.72 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.972 -1.08 . . . . 0.0 109.363 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.5 42.09 1.28 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -148.17 34.91 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -110.43 156.6 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.959 -1.088 . . . . 0.0 109.89 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -179.95 5.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.977 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.56 -36.75 32.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.986 -1.071 . . . . 0.0 109.872 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -74.44 -20.83 59.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.095 -1.003 . . . . 0.0 109.598 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 39.5 mt-10 -81.54 -45.13 16.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.647 -1.283 . . . . 0.0 110.087 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.21 -28.5 64.25 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.9 -1.125 . . . . 0.0 110.784 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -81.19 -29.56 34.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.694 -1.254 . . . . 0.0 109.918 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.35 -30.28 61.94 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.744 -1.223 . . . . 0.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -83.29 -38.27 22.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.622 -1.299 . . . . 0.0 110.213 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.51 -39.17 88.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.867 -1.146 . . . . 0.0 109.977 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -66.6 -29.43 69.48 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.049 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -78.31 -68.05 0.68 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.691 -1.256 . . . . 0.0 109.993 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -49.08 -55.75 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.911 -1.118 . . . . 0.0 111.371 -178.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.91 -41.68 98.19 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.77 -1.206 . . . . 0.0 110.914 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 21.8 p -53.47 -33.45 54.25 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.739 -1.226 . . . . 0.0 110.49 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -54.52 -49.06 71.12 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.63 -1.294 . . . . 0.0 109.609 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -57.41 -59.01 5.79 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 -163.99 11.11 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.15 143.97 26.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.031 -1.276 . . . . 0.0 109.474 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.45 145.14 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.013 . . . . 0.0 109.65 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mp -91.88 -41.22 10.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.143 -0.973 . . . . 0.0 109.424 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -173.17 141.96 0.99 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.2 131.45 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.006 -1.059 . . . . 0.0 109.326 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.37 127.76 46.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.995 -1.066 . . . . 0.0 109.715 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -133.69 127.5 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.095 -1.003 . . . . 0.0 109.152 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -119.55 159.59 24.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.961 -1.087 . . . . 0.0 109.696 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -124.31 32.03 5.61 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.041 -1.037 . . . . 0.0 110.247 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -94.0 174.91 6.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.83 -1.169 . . . . 0.0 108.787 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.92 -54.78 43.25 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.84 -1.163 . . . . 0.0 109.651 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -56.03 -39.93 72.69 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.934 -1.104 . . . . 0.0 109.705 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -99.85 60.91 1.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.934 -1.104 . . . . 0.0 109.449 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 119.7 40.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.949 -1.095 . . . . 0.0 109.477 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.42 40.08 91.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -157.04 143.31 18.05 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.952 -1.322 . . . . 0.0 109.921 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.28 165.66 35.02 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.992 -1.068 . . . . 0.0 110.286 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.5 m-85 -118.62 152.6 35.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.97 -1.081 . . . . 0.0 109.072 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.83 117.2 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.954 -1.091 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.9 mt -89.32 136.19 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.914 -1.116 . . . . 0.0 109.054 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -115.45 137.07 52.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 109.507 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -50.83 -38.38 48.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.949 -1.095 . . . . 0.0 109.889 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -120.48 150.83 40.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.044 -1.035 . . . . 0.0 109.555 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.75 -38.13 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.811 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -61.24 -35.48 77.35 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.981 -1.074 . . . . 0.0 110.076 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -56.73 -37.13 70.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.79 -1.194 . . . . 0.0 110.094 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.38 -31.0 57.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.747 -1.221 . . . . 0.0 109.635 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -59.61 -40.01 86.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.99 -1.069 . . . . 0.0 109.735 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.16 -35.4 56.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.0 -1.063 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.8 -10.83 60.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.769 -1.207 . . . . 0.0 111.25 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.19 -41.9 6.91 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.38 -1.45 . . . . 0.0 110.66 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -73.97 -42.57 60.27 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.76 -1.212 . . . . 0.0 109.856 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -38.02 89.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.07 -1.019 . . . . 0.0 109.752 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -104.67 36.29 2.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -82.31 93.76 7.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.916 -1.115 . . . . 0.0 109.075 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.13 53.56 2.48 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -125.1 164.92 28.79 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.128 -1.219 . . . . 0.0 109.648 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 129.76 9.82 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.798 1.665 . . . . 0.0 110.601 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 17.3 t80 -123.59 -59.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 0.0 108.929 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.7 m-85 -113.53 65.66 0.65 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.014 -1.054 . . . . 0.0 109.096 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.11 40.44 25.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.075 . . . . 0.0 109.524 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.79 153.85 2.75 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.03 -1.043 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.52 143.01 21.29 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.783 1.656 . . . . 0.0 110.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.25 140.74 22.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.968 -1.083 . . . . 0.0 110.001 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -101.23 147.08 26.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.135 -0.978 . . . . 0.0 108.912 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.5 mt -109.5 139.33 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.018 -1.051 . . . . 0.0 110.077 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -140.62 140.0 34.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.059 -1.025 . . . . 0.0 108.831 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -51.0 176.1 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.804 -1.185 . . . . 0.0 109.974 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.85 164.97 12.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.995 -1.066 . . . . 0.0 109.508 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -70.61 -44.12 67.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.013 -1.055 . . . . 0.0 109.167 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 p -122.02 179.8 4.4 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.123 -0.986 . . . . 0.0 109.646 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.13 -175.98 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.24 168.95 9.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.084 -1.01 . . . . 0.0 109.519 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -22.92 18.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.05 -1.031 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 93' ' ' ILE . 2.0 pp -59.3 -23.93 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.58 -1.325 . . . . 0.0 109.434 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 O-C-N 120.495 -1.378 . . . . 0.0 107.524 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.676 0 N-CA-C 110.513 -0.61 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -89.2 175.34 7.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.091 -1.005 . . . . 0.0 109.267 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -68.47 -37.75 80.45 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.009 -1.057 . . . . 0.0 109.783 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.7 m -107.19 156.58 18.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.917 -1.114 . . . . 0.0 109.999 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 pt -117.49 147.69 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 108.894 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.416 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 80.0 t80 -117.48 147.03 43.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.188 -0.945 . . . . 0.0 109.77 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -126.88 148.06 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.975 . . . . 0.0 108.616 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -139.79 -180.0 6.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.957 -1.089 . . . . 0.0 109.9 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.93 41.42 4.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.985 -1.072 . . . . 0.0 109.648 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.3 135.18 41.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.977 -1.077 . . . . 0.0 109.43 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -58.86 153.75 16.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.014 -1.054 . . . . 0.0 109.008 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -101.96 56.98 0.81 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 110.119 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -147.37 32.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.895 -1.128 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.12 154.03 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.785 -1.197 . . . . 0.0 110.067 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -81.05 -179.7 7.47 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.76 -39.55 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.919 -1.113 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.29 -18.69 57.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.03 -1.044 . . . . 0.0 109.476 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.1 mt-10 -84.74 -41.84 15.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.683 -1.261 . . . . 0.0 110.238 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -71.91 -36.37 69.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.906 -1.121 . . . . 0.0 110.144 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -76.0 -32.56 59.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.871 -1.143 . . . . 0.0 109.883 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -72.7 -25.77 61.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.811 -1.181 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -84.21 -37.94 21.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.567 -1.333 . . . . 0.0 110.342 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.36 -47.65 72.73 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.916 -1.115 . . . . 0.0 109.516 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -58.68 -26.15 63.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.22 -0.925 . . . . 0.0 111.044 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.3 -70.41 0.56 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.564 -1.335 . . . . 0.0 110.211 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.88 -56.88 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.957 -1.089 . . . . 0.0 111.773 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.43 -35.28 80.4 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.846 -1.159 . . . . 0.0 110.704 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 t -54.4 -35.82 63.28 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.744 -1.223 . . . . 0.0 110.298 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -47.32 61.23 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.728 -1.233 . . . . 0.0 110.132 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.88 -58.01 10.42 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.002 -1.062 . . . . 0.0 109.626 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.57 -148.82 4.96 Favored Glycine 0 N--CA 1.495 2.626 0 C-N-CA 119.774 -1.203 . . . . 0.0 110.108 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -97.84 142.15 29.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.32 . . . . 0.0 109.599 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.3 119.51 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.999 -1.063 . . . . 0.0 109.314 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.57 -41.72 97.81 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.977 -1.077 . . . . 0.0 109.33 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.44 159.64 0.71 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.012 -1.055 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.3 mt -123.73 157.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.968 . . . . 0.0 109.011 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -139.13 141.81 38.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.912 -1.118 . . . . 0.0 109.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.0 m -140.13 121.77 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 108.968 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -104.32 177.74 4.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.039 . . . . 0.0 109.752 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -146.55 35.7 0.96 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.046 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 p -91.76 -169.62 2.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.723 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.75 -40.15 94.8 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.763 -1.211 . . . . 0.0 109.758 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -79.18 -38.75 35.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.96 -1.088 . . . . 0.0 109.928 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mmt -96.44 53.08 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.7 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -107.22 39.46 1.88 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 109.37 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.62 55.57 0.02 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.416 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -169.61 170.35 8.15 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.059 -1.26 . . . . 0.0 110.342 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.4 170.81 17.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.773 -1.205 . . . . 0.0 109.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.78 112.77 11.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.004 -1.06 . . . . 0.0 109.472 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.26 110.06 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.913 -1.117 . . . . 0.0 109.481 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.71 125.23 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.155 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -101.46 142.11 33.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.458 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -39.72 58.47 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.982 -1.074 . . . . 0.0 109.754 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 153.76 34.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.055 -1.028 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.99 -35.61 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.049 -1.032 . . . . 0.0 109.978 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 p -60.23 -37.47 80.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.895 -1.128 . . . . 0.0 110.037 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -59.2 -36.09 74.76 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.87 -1.144 . . . . 0.0 110.194 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.61 -29.09 59.11 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.733 -1.229 . . . . 0.0 109.648 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -37.71 88.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.927 -1.108 . . . . 0.0 109.503 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.03 -32.15 50.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -13.37 60.05 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.725 -1.235 . . . . 0.0 111.437 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.4 -43.41 6.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.391 -1.443 . . . . 0.0 110.444 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -76.82 -40.68 47.13 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 109.742 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 t -64.49 -35.81 82.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.134 -0.979 . . . . 0.0 109.81 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.9 mtp -103.14 36.53 2.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.32 101.93 0.27 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.99 -1.069 . . . . 0.0 109.042 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.09 68.64 1.53 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.07 162.8 31.65 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.061 -1.258 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.92 133.39 12.46 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.86 1.707 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -122.63 -59.24 1.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 0.0 108.82 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 3.2 m-85 -124.95 68.52 1.11 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.977 -1.077 . . . . 0.0 108.912 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.11 41.91 16.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.034 -1.041 . . . . 0.0 109.154 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -173.03 142.52 1.04 Allowed Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 120.999 -1.063 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.59 146.4 24.13 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.488 1.458 . . . . 0.0 110.149 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.69 138.45 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.995 -1.066 . . . . 0.0 110.345 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -99.92 150.13 22.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -0.99 . . . . 0.0 108.748 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.49 138.65 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.981 -1.074 . . . . 0.0 110.172 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -124.83 134.38 52.75 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -48.39 143.14 5.01 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.019 -1.05 . . . . 0.0 110.814 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.15 -172.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -97.21 -44.42 6.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.055 . . . . 0.0 109.716 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -118.64 179.8 4.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 109.822 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.64 -174.39 5.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.065 -1.022 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.15 164.24 12.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.064 -1.022 . . . . 0.0 109.749 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.75 -35.13 39.24 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.986 -1.071 . . . . 0.0 109.944 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 pt -54.45 -27.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.743 -1.223 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.501 2.083 0 O-C-N 120.456 -1.403 . . . . 0.0 108.397 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.537 0.647 0 N-CA-C 110.158 -0.747 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -135.59 157.17 47.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.027 . . . . 0.0 109.597 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -39.35 75.12 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.126 -0.984 . . . . 0.0 109.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -108.44 140.75 41.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.984 -1.072 . . . . 0.0 109.784 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 pt -100.66 147.99 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 0.0 109.152 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 79.9 t80 -118.02 122.44 43.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.88 148.64 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.118 -0.989 . . . . 0.0 109.057 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -146.71 -175.06 4.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.991 -1.068 . . . . 0.0 109.698 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.95 40.83 22.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.044 -1.035 . . . . 0.0 109.391 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.23 143.64 30.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -60.96 153.73 24.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.078 -1.014 . . . . 0.0 108.725 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -100.4 59.32 0.99 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.0 109.959 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -148.51 33.6 0.79 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.048 . . . . 0.0 110.403 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -111.48 153.74 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.821 -1.175 . . . . 0.0 109.818 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -83.88 -178.74 7.08 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -86.87 -39.97 15.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.882 -1.137 . . . . 0.0 109.309 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.12 -23.04 54.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.082 -1.011 . . . . 0.0 109.1 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.9 tt0 -79.74 -44.31 20.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.864 -1.147 . . . . 0.0 110.127 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.86 -31.17 68.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.91 -1.119 . . . . 0.0 110.514 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -76.35 -32.18 58.49 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.762 -1.211 . . . . 0.0 109.997 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -34.94 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.818 -1.176 . . . . 0.0 110.423 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -78.47 -33.51 48.26 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.763 -1.211 . . . . 0.0 110.389 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.84 -42.62 90.28 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.757 -1.214 . . . . 0.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' O ' ' OG ' ' A' ' 34' ' ' SER . 9.5 t-80 -64.56 -27.75 69.17 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.218 -0.926 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.34 -69.4 0.58 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.611 -1.306 . . . . 0.0 110.061 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -54.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.982 -1.074 . . . . 0.0 111.906 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -67.53 -36.5 81.14 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.839 -1.163 . . . . 0.0 111.295 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 12.2 p -55.75 -35.42 66.17 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.659 -1.276 . . . . 0.0 110.267 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -51.42 -45.84 62.72 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.701 -1.249 . . . . 0.0 110.023 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -53.47 -62.16 1.83 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.963 -1.085 . . . . 0.0 109.816 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.48 -122.84 1.11 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -122.65 129.94 52.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.057 -1.26 . . . . 0.0 109.398 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mt -96.12 134.59 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 0.0 109.287 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.85 -42.03 18.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.056 . . . . 0.0 109.604 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.13 157.48 18.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.136 -0.978 . . . . 0.0 110.27 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.42 115.43 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.025 . . . . 0.0 109.209 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.59 112.75 24.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.855 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 t -93.5 161.3 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.018 -1.051 . . . . 0.0 108.378 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.06 130.83 39.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.934 -1.103 . . . . 0.0 109.797 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -120.59 30.96 6.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.084 -1.01 . . . . 0.0 110.37 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 t -103.26 159.82 15.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.695 -1.253 . . . . 0.0 109.027 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.67 -57.27 13.45 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.853 -1.154 . . . . 0.0 109.515 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -54.19 -37.19 64.23 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.003 -1.06 . . . . 0.0 110.07 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.41 51.87 0.73 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 0.0 109.107 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -105.37 154.2 20.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.106 -0.996 . . . . 0.0 109.521 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.58 93.55 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 7.3 pt20 -158.73 159.89 35.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.919 -1.342 . . . . 0.0 109.827 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.44 171.12 16.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.927 -1.108 . . . . 0.0 109.912 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -132.48 132.01 42.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 109.031 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 58' ' ' PHE . 22.4 t -129.55 147.38 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 109.562 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.62 138.2 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.007 -1.058 . . . . 0.0 108.648 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 56' ' ' VAL . 59.1 m-85 -124.0 153.49 41.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.069 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 117.94 5.28 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 71.69 156.47 0.16 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.5 t -74.84 -30.46 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.08 -1.012 . . . . 0.0 110.857 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 p -58.07 -38.48 76.43 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.746 -1.221 . . . . 0.0 110.594 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.3 t -58.62 -37.19 75.36 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.82 -1.175 . . . . 0.0 110.47 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.13 56.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.723 -1.236 . . . . 0.0 109.918 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -59.28 -38.46 80.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.801 -1.187 . . . . 0.0 109.574 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.17 -35.17 31.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.974 -1.079 . . . . 0.0 109.843 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -19.95 65.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.774 -1.204 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -100.26 -52.15 3.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.386 -1.446 . . . . 0.0 110.966 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -40.51 73.01 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.844 -1.16 . . . . 0.0 110.163 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 m -69.18 -33.71 73.79 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.03 -1.044 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -101.43 35.36 2.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.761 -1.212 . . . . 0.0 110.167 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.57 96.12 1.92 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.878 -1.139 . . . . 0.0 108.946 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.8 69.43 1.4 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.52 161.68 59.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.266 . . . . 0.0 109.442 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -76.47 138.21 19.36 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.828 1.685 . . . . 0.0 110.158 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -129.68 -59.94 1.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.109 -0.994 . . . . 0.0 109.315 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.445 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.9 m-85 -122.79 69.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.032 -1.042 . . . . 0.0 109.099 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.8 42.06 20.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.951 -1.093 . . . . 0.0 109.098 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -176.79 140.91 0.49 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.116 -0.99 . . . . 0.0 109.771 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -76.61 148.16 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 121.399 1.399 . . . . 0.0 110.134 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.2 143.36 24.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.078 -1.014 . . . . 0.0 110.004 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -98.01 146.68 25.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.94 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.44 137.91 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.031 -1.043 . . . . 0.0 110.153 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -132.7 135.34 45.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 108.541 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -47.91 169.22 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.053 -1.029 . . . . 0.0 110.901 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.97 128.19 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -37.99 66.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.906 -1.121 . . . . 0.0 109.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 p -99.66 178.94 4.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.935 -1.103 . . . . 0.0 109.537 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -116.82 175.87 5.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.965 -1.084 . . . . 0.0 109.538 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -98.24 165.25 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -103.09 -8.46 20.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.087 -1.008 . . . . 0.0 111.75 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 pt -56.56 -24.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.305 -1.497 . . . . 0.0 109.487 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.499 2.013 0 O-C-N 120.56 -1.337 . . . . 0.0 108.216 178.515 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.64 0 N-CA-C 110.373 -0.664 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.24 172.96 6.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.528 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.92 -39.53 34.54 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.078 -1.014 . . . . 0.0 109.438 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.5 m -107.32 156.32 19.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.994 -1.066 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 pt -113.79 160.22 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 108.579 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -125.36 121.73 34.77 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.28 152.18 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.897 -1.127 . . . . 0.0 109.077 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.35 159.82 41.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.018 . . . . 0.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t30 71.16 71.67 0.18 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.045 -1.035 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.65 -175.19 3.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.004 -1.06 . . . . 0.0 109.024 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.53 148.18 48.51 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.921 -1.112 . . . . 0.0 109.171 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.92 35.49 2.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.047 -1.033 . . . . 0.0 110.289 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -154.29 38.42 0.44 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.869 -1.144 . . . . 0.0 109.705 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -105.08 156.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.068 -1.02 . . . . 0.0 110.583 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -173.46 3.58 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 121.402 -0.811 . . . . 0.0 109.189 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -86.87 -37.66 17.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.021 -1.049 . . . . 0.0 109.6 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.15 -22.73 48.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.121 -0.987 . . . . 0.0 109.319 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.1 tp10 -82.61 -40.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.686 -1.259 . . . . 0.0 110.281 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.88 -28.07 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.95 -1.094 . . . . 0.0 110.727 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -85.61 -24.19 27.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.625 -1.297 . . . . 0.0 109.773 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -78.06 -24.15 47.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.576 -1.328 . . . . 0.0 110.156 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -95.5 -41.93 8.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.568 -1.332 . . . . 0.0 110.954 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -31.65 56.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.815 -1.178 . . . . 0.0 109.783 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.18 -29.65 69.97 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.788 -1.195 . . . . 0.0 109.28 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.18 -58.45 3.27 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.775 -1.203 . . . . 0.0 109.754 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -57.79 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.134 . . . . 0.0 111.129 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.93 -29.69 70.84 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.758 -1.214 . . . . 0.0 111.204 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -62.34 -33.04 73.92 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.736 -1.228 . . . . 0.0 111.209 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -32.48 19.86 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.638 -1.289 . . . . 0.0 110.932 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -64.6 -60.5 3.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.654 -1.279 . . . . 0.0 109.35 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.82 -96.46 0.17 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -147.87 134.91 20.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.237 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.3 mt -97.13 118.24 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.151 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.76 -43.2 99.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.989 -1.07 . . . . 0.0 109.355 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.98 146.32 0.24 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.1 -1.0 . . . . 0.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 mt -119.39 141.77 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.092 -1.005 . . . . 0.0 109.106 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.47 134.64 53.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.994 -1.067 . . . . 0.0 110.306 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.3 m -143.37 121.36 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -114.36 -177.73 3.2 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.884 -1.135 . . . . 0.0 110.08 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 33.07 3.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 p -85.45 172.58 10.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.705 -1.247 . . . . 0.0 108.665 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.15 -42.99 99.54 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.783 -1.198 . . . . 0.0 109.912 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -99.41 62.63 1.24 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.0 109.64 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.51 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 151.0 2.14 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.867 -1.146 . . . . 0.0 110.059 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.18 -36.44 4.2 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.92 179.45 3.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.939 -1.33 . . . . 0.0 109.177 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.35 173.14 17.11 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.994 -1.067 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.71 139.72 51.28 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.03 -1.043 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.04 98.6 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.87 -1.144 . . . . 0.0 109.571 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.48 118.48 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.971 -1.081 . . . . 0.0 109.235 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -91.5 144.78 25.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.103 -0.998 . . . . 0.0 109.173 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -36.7 12.06 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.156 -0.965 . . . . 0.0 110.914 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.98 155.75 43.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.821 -1.174 . . . . 0.0 110.008 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.95 -37.18 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.096 -1.002 . . . . 0.0 109.643 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -61.44 -36.54 80.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.916 -1.115 . . . . 0.0 109.804 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -34.99 72.96 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.86 -1.15 . . . . 0.0 110.278 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.89 -28.76 55.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.751 -1.218 . . . . 0.0 109.889 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -66.36 -36.79 83.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.859 -1.151 . . . . 0.0 109.925 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.34 -37.19 52.94 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.871 -1.143 . . . . 0.0 109.642 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.64 -23.83 66.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.865 -1.147 . . . . 0.0 110.837 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tp -88.9 -36.16 16.1 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.484 -1.385 . . . . 0.0 110.405 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -66.83 -35.22 79.54 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.875 -1.141 . . . . 0.0 110.342 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -88.41 -34.11 17.66 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.909 -1.119 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.4 mtp -101.49 34.32 2.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.775 -1.203 . . . . 0.0 110.31 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 96.11 4.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.176 . . . . 0.0 108.523 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.04 60.12 2.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.41 159.21 42.64 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.123 -1.222 . . . . 0.0 109.941 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.67 140.38 20.99 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.798 1.665 . . . . 0.0 110.115 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CZ ' ' CE1' ' A' ' 77' ' ' TYR . 15.0 t80 -135.75 -61.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.128 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 m-85 -115.99 70.54 0.76 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.048 -1.032 . . . . 0.0 109.603 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.45 42.02 25.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.037 -1.039 . . . . 0.0 109.818 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 152.76 0.77 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.947 -1.096 . . . . 0.0 110.188 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.27 148.91 24.45 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.821 1.681 . . . . 0.0 110.034 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -149.14 120.9 8.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.991 -1.068 . . . . 0.0 110.073 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -91.22 151.94 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.083 -1.011 . . . . 0.0 108.809 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -127.37 137.57 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.103 -0.998 . . . . 0.0 110.563 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.08 145.33 50.38 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.5 136.2 16.9 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.036 -1.04 . . . . 0.0 110.152 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.26 179.71 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.013 -1.054 . . . . 0.0 109.656 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -93.21 -47.35 6.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.685 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -111.41 178.9 4.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.01 . . . . 0.0 109.633 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -81.98 -173.16 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.033 -1.042 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 t -99.74 150.9 21.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.068 -1.02 . . . . 0.0 109.664 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.04 -31.41 30.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.099 -1.001 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 pt -58.72 -27.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.715 -1.241 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.504 2.259 0 O-C-N 120.443 -1.41 . . . . 0.0 109.221 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 CA--C 1.538 0.703 0 N-CA-C 110.486 -0.621 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -116.9 -178.26 3.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.081 -1.012 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.8 OUTLIER -106.83 30.75 5.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.038 -1.039 . . . . 0.0 110.336 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 56.7 m -167.92 110.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.775 -1.203 . . . . 0.0 110.319 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 pt -72.72 167.37 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.918 -1.114 . . . . 0.0 108.848 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -138.92 133.8 32.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.955 -1.09 . . . . 0.0 109.634 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.95 146.45 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.918 -1.114 . . . . 0.0 109.475 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -144.71 -173.77 4.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.023 -1.048 . . . . 0.0 109.621 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 62.06 44.2 8.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.038 -1.039 . . . . 0.0 109.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 mt -89.19 -173.61 4.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -81.13 153.11 27.46 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 109.157 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.27 42.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 109.834 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -148.24 33.93 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.912 -1.118 . . . . 0.0 110.095 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.22 157.22 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.084 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -94.77 -170.5 2.24 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.214 -0.929 . . . . 0.0 109.131 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -84.25 -36.42 22.72 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.027 -1.046 . . . . 0.0 110.011 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.79 -31.95 72.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.958 -1.089 . . . . 0.0 108.796 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -74.7 -53.25 9.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 109.398 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -51.32 -30.68 19.12 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.011 -1.056 . . . . 0.0 111.115 -179.673 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -78.55 -39.06 38.88 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.68 -1.262 . . . . 0.0 109.707 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -23.66 67.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.066 . . . . 0.0 110.943 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 m -90.96 -43.87 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.406 -1.434 . . . . 0.0 110.736 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.85 -33.54 73.21 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.888 -1.133 . . . . 0.0 110.963 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' ' CB ' ' A' ' 34' ' ' SER . 15.3 t-80 -72.36 -45.82 58.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.135 . . . . 0.0 110.393 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.39 76.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.045 -1.034 . . . . 0.0 110.469 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -53.75 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.895 -1.128 . . . . 0.0 110.951 -178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD1' ' CB ' ' A' ' 67' ' ' ALA . 13.9 m-85 -96.86 43.98 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.888 -1.132 . . . . 0.0 111.275 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.5 t -114.53 -55.17 2.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.778 -1.201 . . . . 0.0 109.737 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -37.54 62.56 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.931 -1.106 . . . . 0.0 110.093 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -54.93 -62.25 1.78 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.917 -1.114 . . . . 0.0 109.892 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.93 -137.86 3.43 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.44 135.95 53.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.264 . . . . 0.0 109.505 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.6 mt -99.35 118.1 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.09 -1.006 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 tp -69.98 -41.67 74.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.052 -1.03 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -177.09 154.57 1.08 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mt -117.97 156.23 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.083 -1.011 . . . . 0.0 108.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -126.37 125.47 42.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.967 -1.083 . . . . 0.0 109.956 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.14 138.78 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.138 -0.976 . . . . 0.0 109.035 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -127.72 164.2 22.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.948 -1.095 . . . . 0.0 109.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -127.44 40.24 3.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.091 -1.006 . . . . 0.0 109.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 t -86.14 159.33 19.55 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.946 -1.096 . . . . 0.0 108.781 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 tt -49.43 -36.29 21.87 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.89 -1.131 . . . . 0.0 110.591 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.71 -30.22 16.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.006 -1.059 . . . . 0.0 110.469 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 19.8 mtp -106.26 39.78 1.74 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.771 -1.206 . . . . 0.0 110.709 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.22 37.3 1.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.769 -1.207 . . . . 0.0 110.281 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 48.41 0.11 Allowed Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.08 156.81 4.94 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -1.199 . . . . 0.0 110.009 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.94 148.82 28.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.914 -1.116 . . . . 0.0 110.273 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.58 118.6 36.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 108.936 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -98.31 130.13 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.944 -1.097 . . . . 0.0 109.563 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.7 mt -114.96 142.36 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 108.825 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 28.1 m-85 -117.74 150.88 38.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.933 -1.104 . . . . 0.0 109.643 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -50.87 -39.31 53.63 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.945 -1.097 . . . . 0.0 109.754 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -116.85 176.61 5.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.963 -1.085 . . . . 0.0 109.399 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.5 t -88.41 -35.57 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.965 -1.085 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.2 p -58.41 -35.94 72.81 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.903 -1.123 . . . . 0.0 110.252 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -62.19 -37.78 86.61 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.749 -1.219 . . . . 0.0 110.139 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.52 61.92 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.925 -1.11 . . . . 0.0 109.606 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.2 m -69.45 -36.93 77.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.138 . . . . 0.0 109.823 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -70.51 -41.97 71.92 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.989 -1.069 . . . . 0.0 108.884 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 33' ' ' PHE . . . -55.94 -38.69 70.64 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.038 -1.039 . . . . 0.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.69 -33.82 69.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.999 -1.063 . . . . 0.0 110.37 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -94.09 56.66 2.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.813 -1.179 . . . . 0.0 109.445 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -144.75 -60.45 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.148 -0.97 . . . . 0.0 109.245 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.8 mmm -111.02 39.59 2.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.071 -1.018 . . . . 0.0 109.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.7 111.87 1.13 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.952 -1.092 . . . . 0.0 109.136 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.25 63.66 4.36 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.34 166.15 31.35 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.035 -1.273 . . . . 0.0 109.756 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.14 123.88 6.37 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.951 1.767 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.2 -59.85 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.1 -1.0 . . . . 0.0 109.179 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.483 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 2.5 m-85 -108.71 61.77 0.6 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.341 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.05 41.33 17.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.001 -1.062 . . . . 0.0 109.539 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 179.49 160.99 0.78 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.918 -1.114 . . . . 0.0 110.206 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.33 146.47 28.12 Favored 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.728 1.619 . . . . 0.0 110.213 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -147.16 137.34 23.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.078 . . . . 0.0 110.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -103.9 150.68 23.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.155 -0.966 . . . . 0.0 109.011 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.67 137.65 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.045 . . . . 0.0 110.101 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.19 135.54 27.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.146 -0.971 . . . . 0.0 108.777 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -51.71 171.03 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 109.615 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.94 173.54 10.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.014 -1.054 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -86.61 -48.05 8.66 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.027 -1.045 . . . . 0.0 109.306 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.0 p -111.28 176.66 4.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.968 -1.083 . . . . 0.0 109.371 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -79.27 175.41 10.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.446 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 12.2 m -97.24 147.82 23.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 109.369 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.69 -25.62 49.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.028 -1.045 . . . . 0.0 110.758 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 pt -58.0 -23.29 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.594 -1.316 . . . . 0.0 109.497 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.393 -1.442 . . . . 0.0 108.089 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 110.489 -0.62 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.07 -171.93 2.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.04 -39.54 11.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -103.35 156.64 17.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.718 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.3 pt -116.55 161.13 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.157 -0.964 . . . . 0.0 108.775 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -128.01 149.44 50.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 109.721 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.28 146.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 108.847 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -145.86 -174.99 4.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.983 -1.073 . . . . 0.0 109.726 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 66.07 41.83 3.46 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.87 -1.144 . . . . 0.0 109.397 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.61 142.35 34.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.056 -1.027 . . . . 0.0 109.602 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -55.25 153.15 7.31 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.07 -1.019 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -99.78 59.04 1.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.883 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -152.35 37.17 0.53 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.975 -1.078 . . . . 0.0 109.927 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt -111.85 156.07 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.912 -1.118 . . . . 0.0 110.379 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -95.81 -177.76 4.15 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -82.7 -37.76 24.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.837 -1.164 . . . . 0.0 109.959 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.78 -22.72 58.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.068 -1.02 . . . . 0.0 109.619 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 2.8 tp10 -81.63 -42.58 19.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.711 -1.243 . . . . 0.0 110.064 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -75.19 -19.89 59.59 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 110.772 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -86.09 -32.78 21.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.568 -1.332 . . . . 0.0 109.533 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -75.62 -29.8 59.33 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.789 -1.195 . . . . 0.0 110.286 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 m -87.11 -34.92 18.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 39.3 mt -73.23 -56.06 5.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.715 -1.241 . . . . 0.0 109.615 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -53.35 -28.43 28.81 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.113 -0.992 . . . . 0.0 110.711 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -68.39 0.58 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.284 . . . . 0.0 109.921 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -59.28 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.129 -0.982 . . . . 0.0 112.28 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -61.79 -36.51 81.3 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.696 -1.252 . . . . 0.0 110.368 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -54.56 -34.84 62.56 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.776 -1.202 . . . . 0.0 110.573 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -46.28 69.96 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.615 -1.303 . . . . 0.0 109.952 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -55.06 -61.09 2.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.939 -1.101 . . . . 0.0 109.789 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.28 -133.45 2.21 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -110.97 136.4 50.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.026 -1.279 . . . . 0.0 109.448 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.2 mt -101.77 122.41 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.999 -1.063 . . . . 0.0 109.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -68.97 -39.8 79.24 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.016 -1.053 . . . . 0.0 109.498 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -175.63 153.3 1.42 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.41 157.21 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.095 -1.003 . . . . 0.0 108.756 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -133.94 133.95 42.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.91 -1.119 . . . . 0.0 110.006 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.91 122.55 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.024 . . . . 0.0 109.122 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -122.07 179.59 4.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -133.02 37.93 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.4 p -92.39 -173.26 3.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.96 -1.087 . . . . 0.0 109.206 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -50.94 25.25 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.901 -1.124 . . . . 0.0 109.875 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.66 -38.28 90.46 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.969 -1.082 . . . . 0.0 109.967 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 59.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.55 124.29 47.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.949 -1.095 . . . . 0.0 109.271 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.21 38.27 30.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -160.99 161.6 31.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.97 -1.312 . . . . 0.0 110.168 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.19 35.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.996 -1.065 . . . . 0.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.95 144.86 39.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.401 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 t -135.09 106.39 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.957 -1.089 . . . . 0.0 109.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.79 121.56 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 109.453 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -95.45 142.85 27.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 0.0 109.231 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -50.61 -38.05 43.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.994 -1.066 . . . . 0.0 110.198 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 151.96 40.07 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.883 -1.136 . . . . 0.0 109.797 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.23 -37.58 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.072 -1.018 . . . . 0.0 109.541 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 p -60.45 -31.79 70.77 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.011 -1.056 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -35.16 79.48 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.679 -1.263 . . . . 0.0 110.522 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.5 50.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.777 -1.202 . . . . 0.0 109.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 m -63.32 -39.78 95.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.846 -1.158 . . . . 0.0 109.598 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -73.49 -37.19 65.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.028 -1.045 . . . . 0.0 109.33 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.51 -17.75 64.79 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.86 -1.15 . . . . 0.0 110.64 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 1.2 tp -87.89 -57.27 3.0 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.422 -1.423 . . . . 0.0 110.132 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -53.91 -40.42 66.67 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.942 -1.099 . . . . 0.0 110.147 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -36.7 70.26 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.015 -1.053 . . . . 0.0 109.989 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.57 35.33 2.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.93 93.89 3.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.887 -1.133 . . . . 0.0 108.725 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.62 62.93 2.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 162.54 42.67 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.054 -1.262 . . . . 0.0 109.584 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.55 135.65 14.85 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.833 1.689 . . . . 0.0 110.412 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 11.4 t80 -134.15 -59.99 0.82 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.144 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.1 m-85 -115.91 70.2 0.75 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.103 -0.998 . . . . 0.0 109.666 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 57.33 40.4 27.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.041 -1.037 . . . . 0.0 109.773 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.51 151.39 0.53 Allowed Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 120.935 -1.103 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.18 150.94 29.74 Favored 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.711 1.607 . . . . 0.0 109.848 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.78 139.12 17.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.956 -1.09 . . . . 0.0 110.296 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 141.59 35.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.207 -0.933 . . . . 0.0 108.873 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.4 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 54.7 mt -105.0 138.9 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.032 -1.042 . . . . 0.0 109.894 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.03 135.25 48.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 108.615 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -49.89 132.53 22.61 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.877 -1.14 . . . . 0.0 109.974 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.46 173.43 0.05 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.024 -1.047 . . . . 0.0 109.68 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.46 -42.2 11.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.088 -1.007 . . . . 0.0 109.402 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -103.4 179.38 4.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.029 -1.045 . . . . 0.0 109.6 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.18 172.91 6.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.978 -1.077 . . . . 0.0 109.438 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.409 ' OG ' ' CG1' ' A' ' 93' ' ' ILE . 2.5 p -75.59 136.1 40.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.067 -1.021 . . . . 0.0 109.672 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.7 -28.3 36.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.09 -1.006 . . . . 0.0 110.285 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.1 -25.34 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.578 -1.326 . . . . 0.0 109.64 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.409 ' CG1' ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.515 -1.365 . . . . 0.0 107.58 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.537 0.657 0 N-CA-C 110.302 -0.691 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -99.63 -170.74 1.94 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.007 -1.058 . . . . 0.0 109.313 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -101.39 33.94 2.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.896 -1.128 . . . . 0.0 110.042 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 85.2 m -167.98 127.03 1.25 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.89 -1.131 . . . . 0.0 109.965 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 23.8 pt -92.17 172.38 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.971 -1.081 . . . . 0.0 109.166 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -131.76 143.71 50.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.984 -1.073 . . . . 0.0 110.051 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.79 146.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 108.915 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.87 -179.12 5.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.061 -1.024 . . . . 0.0 109.841 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m120 57.23 50.2 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 0.0 109.903 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.6 mt -93.45 -177.74 4.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.937 -1.102 . . . . 0.0 109.251 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.8 150.25 22.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.754 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.29 38.69 2.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -115.36 -57.47 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.941 -1.099 . . . . 0.0 109.315 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CD1' ' CE2' ' A' ' 77' ' ' TYR . 3.6 mp -55.52 155.98 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.188 -0.945 . . . . 0.0 108.735 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.53 -168.53 1.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.54 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -83.97 -35.18 24.14 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.903 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -68.92 -38.01 79.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 6.4 mm-40 -72.27 -43.57 64.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.112 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -50.7 -44.39 58.03 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.109 -0.995 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -41.88 98.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.978 -1.076 . . . . 0.0 109.639 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.448 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' OG ' ' OH ' ' A' ' 77' ' ' TYR . 70.5 m -74.74 -50.49 17.23 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.659 -1.276 . . . . 0.0 110.639 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -56.44 -25.88 52.0 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.956 -1.09 . . . . 0.0 111.295 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -83.61 -31.93 26.0 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.558 -1.339 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.3 72.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.757 -1.214 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -85.68 -53.07 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.837 -1.165 . . . . 0.0 110.915 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 41.7 m-85 -67.96 -14.74 63.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.951 -1.093 . . . . 0.0 112.113 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 t -79.85 -34.71 39.08 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.286 -1.509 . . . . 0.0 110.751 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -49.36 -31.14 8.77 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.677 -1.265 . . . . 0.0 110.954 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -71.52 -56.88 5.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.649 -1.282 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.07 -123.37 1.1 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.77 141.76 50.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.996 -1.296 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.36 115.24 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.541 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.12 -42.36 90.39 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -176.74 159.04 1.75 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.37 122.36 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.023 -1.048 . . . . 0.0 109.137 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.18 130.02 44.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.971 -1.081 . . . . 0.0 109.784 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.91 160.71 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.021 -1.049 . . . . 0.0 108.624 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.0 m -127.51 114.88 18.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.915 -1.116 . . . . 0.0 109.764 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -97.93 -29.97 13.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.033 -1.042 . . . . 0.0 111.028 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -48.22 170.51 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.644 -1.285 . . . . 0.0 110.517 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -52.12 11.02 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.029 -1.044 . . . . 0.0 109.759 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -50.39 -37.19 36.2 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.958 -1.089 . . . . 0.0 110.16 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.6 mtp -113.42 57.35 0.68 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.979 -1.076 . . . . 0.0 109.052 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -105.21 157.74 17.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 0.0 109.676 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.01 34.83 73.75 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -155.4 174.81 14.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.881 -1.364 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 171.86 11.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -131.57 130.31 42.09 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.004 -1.06 . . . . 0.0 108.932 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.34 141.54 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.88 -1.138 . . . . 0.0 109.653 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt -119.55 125.63 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 109.263 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.38 150.51 23.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.066 . . . . 0.0 109.532 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -61.68 -42.66 99.24 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.019 -1.051 . . . . 0.0 108.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.13 145.29 38.86 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.158 -0.964 . . . . 0.0 109.195 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.58 -37.52 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.992 -1.068 . . . . 0.0 109.793 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -33.19 70.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.992 -1.068 . . . . 0.0 110.396 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 m -60.34 -39.92 88.82 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.669 -1.269 . . . . 0.0 109.796 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.95 -27.34 61.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.929 -1.107 . . . . 0.0 109.58 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -68.01 -32.61 73.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.874 -1.141 . . . . 0.0 110.077 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.01 -39.04 43.39 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.716 -1.24 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.57 80.35 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.939 -1.101 . . . . 0.0 109.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -39.07 64.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.908 -1.12 . . . . 0.0 109.853 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.4 -8.55 56.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.929 -1.107 . . . . 0.0 111.465 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t -120.16 17.47 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.314 -1.491 . . . . 0.0 110.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.73 40.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.506 -1.371 . . . . 0.0 109.578 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.46 117.69 20.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.093 -1.005 . . . . 0.0 109.183 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.82 60.1 9.54 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -118.7 155.97 52.0 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.183 -1.186 . . . . 0.0 109.522 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.55 130.8 11.03 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.837 1.691 . . . . 0.0 110.147 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 16.3 t80 -125.83 -63.51 1.12 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.034 -1.041 . . . . 0.0 109.061 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m-85 -115.6 67.23 0.7 Allowed 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.129 -0.982 . . . . 0.0 109.436 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 59.28 40.96 20.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.549 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -176.45 155.9 1.43 Allowed Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.005 -1.06 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -77.88 142.85 20.3 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.827 1.685 . . . . 0.0 110.043 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.6 141.89 27.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 110.097 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -107.54 147.04 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.042 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.14 138.4 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.091 -1.006 . . . . 0.0 110.006 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 140.18 35.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 108.73 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -52.26 169.47 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.742 -1.224 . . . . 0.0 109.538 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.55 177.56 6.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.041 -1.037 . . . . 0.0 109.317 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -89.42 -45.85 9.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.03 -1.044 . . . . 0.0 109.4 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 p -103.9 179.27 4.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.273 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.45 171.78 9.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.082 . . . . 0.0 109.343 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.35 144.7 39.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.024 -1.048 . . . . 0.0 109.235 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.47 -30.29 30.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 110.312 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 pp -56.6 -26.48 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.557 -1.34 . . . . 0.0 109.418 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.537 0.629 0 N-CA-C 110.334 -0.679 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.06 -69.83 0.53 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.836 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.51 -45.57 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.9 m -103.23 129.5 50.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.538 -0.726 . . . . 0.0 109.553 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 pt -89.81 164.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.132 -0.98 . . . . 0.0 108.992 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -138.02 117.41 12.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -91.31 155.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.027 -1.046 . . . . 0.0 109.424 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -142.6 175.71 9.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.97 -1.081 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 58.91 55.83 4.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 0.0 109.377 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.62 -174.21 2.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.074 -1.016 . . . . 0.0 109.305 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -91.71 152.38 20.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.004 -1.06 . . . . 0.0 108.942 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.45 39.25 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.0 110.072 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -148.57 33.88 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.985 -1.072 . . . . 0.0 110.223 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.9 mm -103.36 153.84 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.882 -1.136 . . . . 0.0 109.79 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -86.83 -176.16 5.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 108.653 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -87.64 -39.74 14.78 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.904 -1.123 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.67 -29.16 58.97 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 43.2 mm-40 -72.15 -47.53 50.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.127 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.05 -33.06 74.93 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.883 -1.136 . . . . 0.0 110.481 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.83 -23.75 58.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.81 -1.181 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -78.76 -32.97 46.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.506 -1.371 . . . . 0.0 109.955 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -76.7 -38.24 54.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.754 -1.216 . . . . 0.0 110.227 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.98 -41.07 71.48 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.907 -1.121 . . . . 0.0 109.717 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.79 -32.11 65.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.1 -1.0 . . . . 0.0 110.246 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.03 -69.22 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.892 -1.13 . . . . 0.0 110.173 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -61.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 112.353 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -61.64 -32.27 72.42 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.706 -1.246 . . . . 0.0 111.136 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -60.78 -33.36 72.85 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.616 -1.302 . . . . 0.0 110.592 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -48.02 -36.96 13.75 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.729 -1.232 . . . . 0.0 110.932 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.08 71.22 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.946 -1.096 . . . . 0.0 110.194 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.67 -151.83 19.03 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -123.23 149.07 45.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.086 -1.243 . . . . 0.0 109.399 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.0 mt -99.56 130.56 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.08 -1.012 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.68 -41.44 23.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.001 -1.062 . . . . 0.0 109.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -166.52 157.44 12.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.095 -1.003 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.24 121.81 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 0.0 109.034 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.85 130.69 48.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.054 -1.029 . . . . 0.0 109.991 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.89 136.53 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.131 -0.98 . . . . 0.0 108.881 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -133.47 159.97 38.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.961 -1.087 . . . . 0.0 109.973 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -129.76 38.35 3.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.004 . . . . 0.0 109.623 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -89.17 166.52 13.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.928 -1.107 . . . . 0.0 108.83 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -40.83 76.25 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.879 -1.138 . . . . 0.0 109.663 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -72.84 -39.9 66.16 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.06 -1.025 . . . . 0.0 109.66 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.93 56.64 1.72 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.96 -1.088 . . . . 0.0 109.394 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.68 129.29 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.97 -1.081 . . . . 0.0 109.459 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.94 41.11 41.98 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -162.11 153.47 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.03 -1.276 . . . . 0.0 110.028 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.2 170.43 15.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.001 -1.062 . . . . 0.0 109.801 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -130.08 134.9 47.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.089 -1.007 . . . . 0.0 109.19 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.8 t -130.26 148.34 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.965 -1.085 . . . . 0.0 109.525 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 92' ' ' ILE . 9.8 mt -125.48 146.95 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.105 -0.997 . . . . 0.0 108.907 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -119.88 154.36 34.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.996 -1.065 . . . . 0.0 109.522 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -53.11 -40.64 64.32 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.007 -1.058 . . . . 0.0 109.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.44 177.03 6.41 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.134 -0.979 . . . . 0.0 109.492 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.84 -37.51 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.044 -1.035 . . . . 0.0 109.817 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.3 p -59.64 -35.9 75.32 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.971 -1.081 . . . . 0.0 110.285 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -59.39 -37.99 79.37 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.85 -1.156 . . . . 0.0 110.199 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.91 61.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.881 -1.137 . . . . 0.0 109.524 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.916 -1.115 . . . . 0.0 109.388 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.66 -42.49 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.982 -1.074 . . . . 0.0 108.862 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.28 46.25 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.086 -1.008 . . . . 0.0 110.203 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.47 -37.72 36.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.74 -1.225 . . . . 0.0 109.801 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -94.57 56.2 2.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.863 -1.148 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 m -154.11 -58.38 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.138 -0.977 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 80.6 mtp -106.38 37.58 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.074 -1.016 . . . . 0.0 109.458 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.75 98.95 0.06 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.94 -1.1 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.17 62.67 1.79 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -112.44 163.56 17.51 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.205 -1.174 . . . . 0.0 109.893 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.66 124.45 6.32 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.916 1.744 . . . . 0.0 110.766 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.85 109.84 7.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.993 -1.067 . . . . 0.0 108.77 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.45 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 71.4 m-85 72.81 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 117.859 0.299 . . . . 0.0 110.419 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -154.9 47.59 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.572 -1.33 . . . . 0.0 110.355 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 179.84 153.44 0.62 Allowed Pre-proline 0 N--CA 1.5 2.055 0 O-C-N 120.98 -1.075 . . . . 0.0 110.2 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.03 146.75 25.98 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.728 1.618 . . . . 0.0 109.986 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -139.33 127.61 22.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.908 -1.12 . . . . 0.0 110.269 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -94.99 153.87 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.91 135.48 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.019 . . . . 0.0 110.84 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -145.08 136.33 25.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -46.83 167.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.962 -1.087 . . . . 0.0 110.928 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.56 -169.71 2.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.159 -0.963 . . . . 0.0 109.424 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -90.89 -46.7 8.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.968 -1.083 . . . . 0.0 109.061 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -124.97 -179.39 4.53 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.46 -176.01 4.03 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -99.35 153.55 18.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.939 -1.101 . . . . 0.0 109.679 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -76.14 -28.63 57.48 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.038 -1.039 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 33.6 pt -60.26 -23.45 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.649 -1.282 . . . . 0.0 109.48 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.936 0 O-C-N 120.597 -1.314 . . . . 0.0 107.789 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.535 0.543 0 N-CA-C 110.666 -0.551 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -135.97 -66.71 0.54 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.174 -0.954 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.44 -45.03 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.291 -0.881 . . . . 0.0 108.674 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -106.17 157.74 17.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.444 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 31.8 pt -116.15 163.68 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -122.74 120.05 32.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.136 -0.977 . . . . 0.0 110.554 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.66 137.33 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.037 -1.039 . . . . 0.0 108.498 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -133.44 160.89 36.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 109.648 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.15 49.42 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.141 . . . . 0.0 109.311 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -85.07 -174.98 5.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.178 -0.951 . . . . 0.0 108.982 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 157.84 20.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.88 40.55 1.36 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -154.3 40.72 0.48 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.425 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -102.02 154.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 108.875 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -115.72 31.17 6.88 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.097 -1.041 . . . . 0.0 112.471 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.75 -73.28 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 O-C-N 121.422 -0.799 . . . . 0.0 112.07 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.27 -27.48 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.624 -1.298 . . . . 0.0 109.364 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 5.1 tt0 -71.14 -41.93 69.82 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.31 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.24 -20.71 63.95 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.027 -1.046 . . . . 0.0 111.377 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -86.25 -28.9 23.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.531 -1.356 . . . . 0.0 110.101 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -77.57 -29.7 52.27 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.005 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 m -87.59 -37.51 16.76 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.794 -1.191 . . . . 0.0 110.221 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.96 -53.77 12.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.857 -1.152 . . . . 0.0 109.488 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -53.35 -27.86 25.75 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.213 -0.929 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.19 -69.89 0.54 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.681 -1.262 . . . . 0.0 110.172 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.92 -60.07 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.031 -1.043 . . . . 0.0 112.017 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CE2' ' CD1' ' A' ' 32' ' ' ILE . 87.8 m-85 -59.28 -36.91 76.41 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.786 -1.196 . . . . 0.0 110.601 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -54.42 -37.92 65.67 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.783 -1.198 . . . . 0.0 110.449 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -51.19 -45.91 61.96 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.74 -1.225 . . . . 0.0 110.341 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -57.28 -59.67 4.78 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.077 -1.015 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 -126.95 1.63 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.68 138.01 54.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.298 . . . . 0.0 109.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -101.35 126.11 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 0.0 109.23 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tp -78.08 -40.48 38.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.038 -1.038 . . . . 0.0 109.509 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.73 141.86 0.87 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.082 -1.012 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mt -113.64 128.67 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.444 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -100.41 127.58 46.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.067 -1.021 . . . . 0.0 109.637 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.94 134.14 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 163.42 25.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.834 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -135.92 40.03 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 109.557 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 p -91.53 162.05 14.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 109.379 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.94 -38.88 73.54 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.988 -1.07 . . . . 0.0 110.005 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -75.86 -37.47 58.9 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.889 -1.132 . . . . 0.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtp -104.41 60.47 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.908 -1.12 . . . . 0.0 109.323 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -109.83 139.79 44.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.038 -1.039 . . . . 0.0 109.567 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.78 37.58 84.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -166.03 142.38 5.08 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.939 -1.33 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.57 -171.23 3.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.977 -1.077 . . . . 0.0 109.887 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 27.8 m-85 -140.42 142.37 35.44 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.65 109.21 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.944 -1.098 . . . . 0.0 109.404 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mt -89.99 133.99 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.963 -1.086 . . . . 0.0 109.556 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.02 137.57 51.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.154 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -49.49 -38.25 29.39 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.079 -1.013 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -112.8 153.46 27.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.005 -1.059 . . . . 0.0 109.359 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.39 -37.28 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.954 -1.091 . . . . 0.0 109.761 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 p -60.57 -29.87 69.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.985 -1.072 . . . . 0.0 110.492 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -35.03 79.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.14 56.85 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.739 -1.225 . . . . 0.0 109.677 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 m -70.23 -31.24 68.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -78.76 -38.68 38.03 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.788 -1.195 . . . . 0.0 109.37 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.11 69.8 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.935 -1.103 . . . . 0.0 110.425 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -35.63 25.94 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.691 -1.255 . . . . 0.0 110.555 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -65.69 -36.87 84.86 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.866 -1.146 . . . . 0.0 110.465 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -85.29 -29.59 24.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.966 -1.084 . . . . 0.0 110.776 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.57 36.58 2.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.727 -1.233 . . . . 0.0 109.928 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.02 93.62 5.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.95 -1.094 . . . . 0.0 109.104 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.11 61.13 2.05 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -127.14 161.7 52.51 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.065 -1.256 . . . . 0.0 109.404 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.1 139.32 16.96 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.844 1.696 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 43.9 t80 -135.03 -60.89 0.76 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.007 -1.058 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.532 ' CE1' ' CE2' ' A' ' 76' ' ' PHE . 2.0 m-85 -113.51 66.61 0.66 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.08 -1.013 . . . . 0.0 109.82 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.9 42.21 13.3 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.997 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.42 154.79 0.53 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.882 -1.136 . . . . 0.0 110.217 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.78 148.45 25.48 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.932 1.755 . . . . 0.0 109.993 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -155.03 138.87 16.24 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.947 -1.096 . . . . 0.0 110.374 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -108.75 147.62 31.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.083 -1.01 . . . . 0.0 108.889 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.6 mt -116.32 146.3 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.044 . . . . 0.0 110.37 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -142.23 139.54 32.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 108.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -45.92 138.94 4.61 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.058 -1.026 . . . . 0.0 110.792 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.57 -171.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -81.78 -49.64 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.954 -1.092 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 p -119.56 179.62 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.974 -1.079 . . . . 0.0 109.833 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.04 -173.03 1.16 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.083 -1.01 . . . . 0.0 109.089 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -95.82 157.48 15.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.23 -31.03 17.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.09 -1.006 . . . . 0.0 110.35 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 pt -57.52 -28.55 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.659 -1.276 . . . . 0.0 110.624 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.505 2.304 0 O-C-N 120.455 -1.403 . . . . 0.0 109.307 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 CA--C 1.537 0.659 0 N-CA-C 110.308 -0.689 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -100.67 -175.84 3.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.025 . . . . 0.0 109.547 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -90.99 -39.39 12.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.065 -1.022 . . . . 0.0 109.629 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.5 m -104.85 140.35 38.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.928 -1.107 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.439 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.3 pt -97.24 168.23 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.992 . . . . 0.0 109.084 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.427 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 30.8 t80 -142.15 122.93 14.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.106 -0.996 . . . . 0.0 109.084 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.2 153.19 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.011 -1.056 . . . . 0.0 109.242 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -142.1 173.12 11.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.982 -1.074 . . . . 0.0 109.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.38 53.22 5.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.991 -1.068 . . . . 0.0 109.222 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.27 -174.58 3.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.996 -1.065 . . . . 0.0 109.54 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -85.82 149.54 25.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.989 -1.069 . . . . 0.0 109.419 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -102.35 38.43 1.69 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.065 -1.022 . . . . 0.0 109.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -151.74 36.56 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.934 -1.104 . . . . 0.0 109.988 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 6.7 mm -103.52 158.92 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.042 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -83.5 179.99 7.5 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -83.29 -41.91 17.75 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 108.899 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.96 -16.38 60.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.137 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tp10 -81.7 -43.19 18.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.665 -1.272 . . . . 0.0 110.219 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.59 -38.21 77.23 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 118.602 -1.239 . . . . 0.0 109.876 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.13 -29.96 63.26 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.895 -1.128 . . . . 0.0 110.568 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -75.62 -26.81 58.12 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.691 -1.256 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -36.2 24.14 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.66 -41.61 71.88 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.839 -1.163 . . . . 0.0 109.241 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -65.17 -28.25 69.27 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.065 -1.022 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.6 -69.78 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.635 -1.29 . . . . 0.0 109.655 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -59.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.985 -1.072 . . . . 0.0 111.712 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 52.8 m-85 -58.7 -32.85 69.54 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.693 -1.254 . . . . 0.0 111.263 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -63.18 -34.69 78.18 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.657 -1.277 . . . . 0.0 111.151 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -49.96 -30.46 10.45 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.627 -1.295 . . . . 0.0 111.07 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CZ ' ' OG ' ' A' ' 70' ' ' SER . 38.2 m-85 -81.05 -51.8 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.735 -1.228 . . . . 0.0 109.381 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 -175.7 26.06 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.89 143.81 39.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.069 -1.254 . . . . 0.0 109.491 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.6 mt -104.47 117.18 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 109.274 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.52 -42.88 88.73 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.036 -1.04 . . . . 0.0 109.587 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.51 163.39 5.43 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.108 -0.995 . . . . 0.0 110.525 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.4 mt -139.4 139.05 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.195 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -124.87 145.95 49.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.932 -1.105 . . . . 0.0 109.694 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.45 129.77 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.115 -0.991 . . . . 0.0 109.367 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -100.64 164.46 11.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.997 -1.064 . . . . 0.0 109.697 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -150.03 37.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 110.107 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 p -92.5 170.22 9.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.95 -1.094 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -49.34 75.79 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.864 -1.148 . . . . 0.0 109.605 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.063 -1.023 . . . . 0.0 109.868 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 mtp -108.93 65.5 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.868 -1.145 . . . . 0.0 109.703 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -99.14 49.86 0.95 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.119 . . . . 0.0 109.669 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.22 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 3.4 pt20 -157.51 175.77 13.52 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.008 -1.289 . . . . 0.0 110.084 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.96 20.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.9 -1.125 . . . . 0.0 110.451 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -132.92 133.3 43.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 109.23 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.04 139.18 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.007 -1.058 . . . . 0.0 109.685 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mt -114.68 119.68 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.963 -1.086 . . . . 0.0 109.061 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -96.15 155.65 16.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.965 -1.084 . . . . 0.0 109.529 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -54.79 -38.95 67.91 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.981 -1.074 . . . . 0.0 109.909 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -133.91 164.12 28.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.968 -1.082 . . . . 0.0 109.854 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.95 -36.36 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.112 -0.993 . . . . 0.0 109.843 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 p -61.95 -38.4 88.36 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.021 -1.049 . . . . 0.0 109.817 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -58.12 -33.61 69.32 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -30.26 50.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.792 -1.192 . . . . 0.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -62.1 -44.6 96.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.899 -1.126 . . . . 0.0 109.614 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -42.14 72.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.985 -1.072 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.83 -25.97 57.27 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.999 -1.063 . . . . 0.0 110.802 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 -31.42 17.64 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.553 -1.342 . . . . 0.0 111.108 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -67.73 -57.53 6.19 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.716 -1.24 . . . . 0.0 109.623 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 59.8 p -64.55 -30.43 71.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.152 -0.968 . . . . 0.0 110.647 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -100.62 32.84 2.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.643 -1.285 . . . . 0.0 110.563 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -77.09 102.23 6.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.844 -1.16 . . . . 0.0 108.269 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.75 71.17 1.08 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.436 ' CE1' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -116.65 172.51 3.79 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.081 -1.246 . . . . 0.0 110.014 -179.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.38 144.23 20.22 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 121.957 1.771 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -157.58 101.54 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.441 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.459 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 84.1 m-85 60.17 51.21 5.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.933 . . . . 0.0 109.933 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 t70 55.3 63.73 2.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.0 110.247 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -178.84 137.69 0.34 Allowed Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 120.907 -1.121 . . . . 0.0 110.243 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.99 132.84 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 C-N-CA 121.539 1.493 . . . . 0.0 109.947 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -139.52 132.38 29.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.994 -1.066 . . . . 0.0 110.151 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 -96.69 151.4 19.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 0.0 108.61 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.8 mt -109.6 136.1 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.035 . . . . 0.0 110.379 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -130.71 140.18 50.33 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -50.61 173.99 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.828 -1.17 . . . . 0.0 110.095 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 179.24 5.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.643 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.19 -38.7 16.15 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.072 -1.017 . . . . 0.0 109.685 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.6 p -136.73 179.72 6.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.904 -1.123 . . . . 0.0 110.035 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.53 179.96 2.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.166 -0.959 . . . . 0.0 109.432 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 171.38 9.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.025 -1.047 . . . . 0.0 109.554 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.54 -29.96 25.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.074 -1.016 . . . . 0.0 110.205 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -63.8 -21.84 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.703 -1.248 . . . . 0.0 109.153 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.571 -1.331 . . . . 0.0 108.103 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 CA--C 1.536 0.61 0 N-CA-C 110.169 -0.743 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.31 -176.98 4.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.128 -0.982 . . . . 0.0 109.5 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -38.09 54.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 109.621 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -103.32 156.28 17.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.931 -1.106 . . . . 0.0 110.102 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 pt -119.72 146.91 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.0 108.856 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -121.66 119.91 33.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 0.0 109.265 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mt -100.4 150.02 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 109.08 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -129.43 174.23 9.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.074 . . . . 0.0 109.69 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.4 t30 59.29 56.56 3.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.067 -1.021 . . . . 0.0 109.333 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ASN . 7.7 mp -101.32 43.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.965 -1.084 . . . . 0.0 109.742 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . 30.2 t30 56.29 162.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.126 -0.984 . . . . 0.0 111.023 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.49 50.18 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.948 . . . . 0.0 109.461 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -153.08 37.89 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.974 -1.079 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 14.9 mm -91.47 154.1 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.061 -1.024 . . . . 0.0 109.449 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.84 28.44 7.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 111.189 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.4 -79.65 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.525 -0.734 . . . . 0.0 111.818 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -26.26 63.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.398 -1.439 . . . . 0.0 108.92 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.4 -41.86 88.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.013 -1.054 . . . . 0.0 109.795 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.81 -23.01 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.838 -1.164 . . . . 0.0 111.18 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -79.57 -32.76 42.07 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.512 -1.367 . . . . 0.0 110.149 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -35.63 66.05 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.883 -1.135 . . . . 0.0 109.863 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 15.6 m -74.39 -38.16 63.21 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.863 -1.148 . . . . 0.0 109.932 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.77 -34.24 77.4 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.921 -1.112 . . . . 0.0 110.358 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CB ' ' A' ' 34' ' ' SER . 1.9 t-80 -71.77 -19.03 62.08 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.854 -1.154 . . . . 0.0 111.605 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -52.12 5.22 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.336 -1.477 . . . . 0.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -59.75 -48.5 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 110.569 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -92.13 29.26 1.67 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.975 -1.078 . . . . 0.0 112.44 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.4 t -110.66 -54.33 2.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.491 -1.381 . . . . 0.0 109.667 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.19 -34.64 10.38 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.939 -1.101 . . . . 0.0 110.675 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -56.89 -58.21 9.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.805 -1.185 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -107.59 0.35 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -139.85 137.79 35.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.055 -1.262 . . . . 0.0 109.237 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.63 115.55 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.996 -1.065 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -40.5 80.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.063 -1.023 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -171.23 150.03 2.9 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.041 -1.037 . . . . 0.0 110.414 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.4 mt -125.55 114.49 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.978 . . . . 0.0 109.206 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.29 143.43 26.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.07 -1.019 . . . . 0.0 109.719 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.84 131.51 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.073 -1.017 . . . . 0.0 109.039 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -108.11 135.77 48.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 109.825 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -118.83 39.37 3.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 109.559 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -99.61 166.51 11.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.995 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.44 -47.36 84.24 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.923 -1.111 . . . . 0.0 109.5 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -55.82 -39.74 71.79 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.077 . . . . 0.0 109.686 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -113.86 67.8 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.991 -1.068 . . . . 0.0 109.476 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.02 48.17 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.032 -1.042 . . . . 0.0 109.431 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.86 56.27 0.01 OUTLIER Glycine 0 N--CA 1.497 2.723 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.83 178.47 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.056 -1.261 . . . . 0.0 109.474 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.72 156.87 37.17 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.284 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -127.41 117.6 22.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.115 -0.991 . . . . 0.0 108.881 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.27 105.94 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.882 -1.137 . . . . 0.0 109.673 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 mt -99.76 124.62 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.988 . . . . 0.0 108.911 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CD1' ' CB ' ' A' ' 64' ' ' ALA . 88.6 m-85 -92.32 152.48 19.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -50.08 -39.89 43.78 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.018 -1.051 . . . . 0.0 109.671 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.62 149.77 41.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.054 -1.029 . . . . 0.0 109.178 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.61 -30.84 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.993 -1.067 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.18 86.29 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.752 -1.218 . . . . 0.0 109.564 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -58.68 -32.97 69.62 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.844 -1.16 . . . . 0.0 110.223 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 58' ' ' PHE . . . -78.53 -29.73 46.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.733 -1.229 . . . . 0.0 109.701 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -62.39 -37.18 84.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.806 -1.184 . . . . 0.0 110.063 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -81.44 -37.08 28.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.9 -1.125 . . . . 0.0 109.893 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.55 -26.6 68.05 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.775 -1.203 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.08 -37.19 12.28 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.566 -1.334 . . . . 0.0 110.184 -179.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -57.34 -38.09 73.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.887 -1.133 . . . . 0.0 109.936 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -83.07 -31.18 27.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.926 -1.109 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mtp -102.22 35.83 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.693 -1.255 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.47 92.41 5.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.94 -1.1 . . . . 0.0 109.058 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.86 62.9 1.49 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.0 162.89 44.99 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 120.965 -1.315 . . . . 0.0 109.56 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.43 145.53 21.15 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.894 1.729 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 7.0 t80 -131.75 -60.05 0.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.139 -0.976 . . . . 0.0 109.408 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.445 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 3.9 m-85 -119.51 69.07 0.82 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.087 -1.008 . . . . 0.0 109.33 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 60.55 42.59 13.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 109.584 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.03 147.88 1.07 Allowed Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 120.939 -1.1 . . . . 0.0 110.071 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.27 146.57 22.44 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.697 1.598 . . . . 0.0 110.257 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -152.75 139.41 18.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.976 -1.077 . . . . 0.0 110.118 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -99.2 148.67 23.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 108.988 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 51.2 mt -110.87 141.93 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 110.184 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -138.93 135.05 34.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 108.518 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -48.99 143.32 5.67 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.998 -1.064 . . . . 0.0 110.56 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.29 -176.38 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.067 -1.021 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -92.67 -48.95 6.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 109.527 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.2 p -108.88 179.4 4.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.081 -1.012 . . . . 0.0 109.44 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.63 174.44 8.88 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.287 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 p -100.29 151.18 21.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.073 -1.017 . . . . 0.0 109.682 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.06 -1.92 54.0 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.983 . . . . 0.0 111.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 pt -68.41 -28.8 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.175 -1.578 . . . . 0.0 109.794 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.174 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.539 0.736 0 N-CA-C 110.436 -0.64 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -113.88 41.18 2.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.094 -1.004 . . . . 0.0 109.285 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.3 t-160 56.11 25.97 9.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.073 -1.017 . . . . 0.0 110.68 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 65.4 m -169.55 139.18 2.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.741 -1.225 . . . . 0.0 109.719 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 4.0 pt -110.82 169.25 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.934 -1.103 . . . . 0.0 109.077 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -135.52 123.67 22.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.139 -0.975 . . . . 0.0 109.709 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -95.85 148.0 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 109.231 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -148.55 170.4 18.16 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.994 -1.067 . . . . 0.0 109.832 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 61.56 54.81 2.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.096 -1.002 . . . . 0.0 109.755 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -106.96 -173.4 2.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.954 -1.092 . . . . 0.0 109.24 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.51 150.51 25.21 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.878 -1.139 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -103.25 40.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.11 -0.994 . . . . 0.0 109.833 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -150.97 36.16 0.61 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.038 -1.039 . . . . 0.0 110.051 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mt -110.77 157.31 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.965 -1.084 . . . . 0.0 109.923 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -89.5 -180.0 5.94 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.119 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -36.02 27.38 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.957 -1.089 . . . . 0.0 110.054 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.68 -26.19 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -76.76 -46.65 24.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.789 -1.195 . . . . 0.0 109.999 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 tp -71.35 -22.86 61.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.809 -1.182 . . . . 0.0 110.698 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.0 -25.04 30.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.583 -1.323 . . . . 0.0 109.951 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.05 -31.01 55.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.66 -1.275 . . . . 0.0 110.058 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -85.84 -38.54 18.0 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.679 -1.263 . . . . 0.0 110.206 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.12 -38.09 78.7 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.889 -1.132 . . . . 0.0 110.066 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -64.64 -32.58 74.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.96 -1.087 . . . . 0.0 110.42 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.97 -66.49 0.78 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.784 -1.197 . . . . 0.0 109.954 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -58.1 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.893 -1.129 . . . . 0.0 111.986 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 m-85 -65.1 -31.3 72.43 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 20.0 p -62.56 -31.87 72.74 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.599 -1.313 . . . . 0.0 110.466 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -50.37 -35.79 29.66 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.515 -1.366 . . . . 0.0 110.47 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -92.92 64.43 3.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.854 -1.154 . . . . 0.0 110.027 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.72 -139.48 14.43 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -133.88 146.75 50.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.108 -1.231 . . . . 0.0 109.484 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 mt -99.85 133.54 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.118 -0.989 . . . . 0.0 109.445 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.26 -42.45 13.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.99 -1.069 . . . . 0.0 109.455 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.48 160.28 34.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.139 -0.975 . . . . 0.0 110.281 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.8 mt -141.01 123.53 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.185 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.25 116.81 24.67 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.036 -1.04 . . . . 0.0 109.632 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.48 22.46 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.068 -1.02 . . . . 0.0 110.693 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.2 t -47.48 143.91 3.34 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.815 -1.178 . . . . 0.0 110.497 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -119.53 39.23 3.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.058 . . . . 0.0 109.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.6 p -75.88 170.25 16.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.952 -1.093 . . . . 0.0 108.795 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.77 -41.27 66.99 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.811 -1.181 . . . . 0.0 109.605 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -69.78 -39.04 76.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.094 -1.004 . . . . 0.0 109.144 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.42 55.96 2.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.349 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.43 130.18 46.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.854 -1.154 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.93 38.67 86.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -161.16 153.45 20.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.948 -1.325 . . . . 0.0 109.977 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.34 -175.08 5.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.034 -1.041 . . . . 0.0 109.95 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 34.6 m-85 -135.35 149.84 49.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.086 -1.009 . . . . 0.0 109.21 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.34 140.77 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.936 -1.102 . . . . 0.0 109.193 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG2' ' CD1' ' A' ' 92' ' ' ILE . 11.3 mt -118.83 139.49 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.96 -1.088 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 61.6 m-85 -117.21 149.62 40.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.036 -1.04 . . . . 0.0 109.47 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -55.68 -40.12 71.89 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.993 -1.067 . . . . 0.0 109.321 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -120.84 161.95 20.65 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.387 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -74.27 -36.98 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.049 -1.032 . . . . 0.0 109.805 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.4 p -60.12 -34.9 74.14 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.906 -1.121 . . . . 0.0 110.215 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -61.31 -35.71 78.12 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.79 -1.194 . . . . 0.0 110.47 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.36 -32.15 62.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.791 -1.193 . . . . 0.0 109.505 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -62.87 -38.33 90.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.004 -1.06 . . . . 0.0 109.839 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -73.05 -36.59 66.94 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.94 -1.1 . . . . 0.0 109.619 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.44 -23.23 66.26 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.879 -1.138 . . . . 0.0 110.813 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -57.89 2.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.476 -1.39 . . . . 0.0 110.226 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -36.9 46.98 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.913 -1.117 . . . . 0.0 110.464 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -77.53 -36.33 52.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.066 . . . . 0.0 110.053 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 mtp -101.95 34.46 2.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.934 -1.104 . . . . 0.0 110.179 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -76.34 96.41 3.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.845 -1.159 . . . . 0.0 108.698 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.43 70.55 1.23 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.34 172.41 4.94 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.102 -1.234 . . . . 0.0 109.765 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.66 136.12 15.07 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.88 1.72 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -156.55 112.4 2.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.157 -0.964 . . . . 0.0 109.188 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 60.78 41.36 14.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.834 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.26 62.94 2.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.094 -1.004 . . . . 0.0 109.762 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -178.82 142.47 0.41 Allowed Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 120.913 -1.117 . . . . 0.0 110.015 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.17 124.68 6.73 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.597 1.531 . . . . 0.0 110.077 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -131.25 135.25 47.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -104.68 148.31 26.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.73 142.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -147.12 137.01 23.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.125 -0.984 . . . . 0.0 109.06 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -48.85 155.69 0.57 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.954 -1.091 . . . . 0.0 110.25 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.8 5.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.111 -0.993 . . . . 0.0 109.142 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -86.27 -48.04 8.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.964 -1.085 . . . . 0.0 109.343 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -105.93 179.61 4.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.017 -1.052 . . . . 0.0 109.5 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.39 178.48 7.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.005 -1.06 . . . . 0.0 109.288 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 p -94.44 156.48 16.46 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.081 -1.012 . . . . 0.0 109.559 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.71 -20.69 21.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.041 -1.037 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -59.71 -23.16 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.523 -1.36 . . . . 0.0 109.514 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.95 0 O-C-N 120.567 -1.333 . . . . 0.0 107.946 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.665 0 N-CA-C 110.397 -0.655 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.68 175.95 5.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.109 -0.994 . . . . 0.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 4.3 t60 -86.18 -41.91 14.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.018 -1.051 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -101.15 150.49 22.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 pt -111.88 147.29 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.0 . . . . 0.0 109.283 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -118.86 126.5 51.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.225 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -98.88 150.79 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.068 -1.02 . . . . 0.0 108.952 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -141.92 176.22 9.11 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.923 -1.111 . . . . 0.0 109.623 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 42.75 17.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.139 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.4 178.95 5.67 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.159 -0.963 . . . . 0.0 109.567 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -73.34 150.54 41.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.037 -1.039 . . . . 0.0 109.129 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -102.07 38.03 1.74 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 110.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -151.43 35.64 0.57 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.913 -1.117 . . . . 0.0 110.183 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 mm -101.53 151.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.886 -1.134 . . . . 0.0 109.755 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -79.77 -179.58 7.0 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -88.05 -40.13 14.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.987 -1.071 . . . . 0.0 109.153 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -27.19 59.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.095 -1.003 . . . . 0.0 108.589 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.7 tp10 -74.24 -48.07 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.915 -1.115 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.48 -34.05 77.32 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.96 -1.088 . . . . 0.0 110.689 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.15 -29.1 62.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.849 -1.157 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -30.98 61.91 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.639 -1.288 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -77.37 -38.84 49.22 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.722 -1.236 . . . . 0.0 110.174 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -67.6 -40.39 84.74 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.971 -1.081 . . . . 0.0 109.754 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -61.76 -29.48 70.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.07 -1.018 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.19 -70.13 0.56 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.678 -1.264 . . . . 0.0 110.011 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -58.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.987 . . . . 0.0 111.95 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -62.29 -34.47 76.64 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.823 -1.173 . . . . 0.0 110.804 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -57.15 -33.84 67.81 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.778 -1.202 . . . . 0.0 110.371 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -46.71 -43.16 17.63 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.761 -1.212 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -99.42 74.92 1.94 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.748 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.32 160.61 32.46 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -84.4 146.8 27.48 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.034 -1.274 . . . . 0.0 109.309 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -97.32 147.58 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.03 -1.044 . . . . 0.0 109.633 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.71 -39.82 11.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.112 -0.992 . . . . 0.0 109.642 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.67 151.57 2.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.056 -1.027 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.31 131.63 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.067 -1.021 . . . . 0.0 109.392 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.72 125.53 50.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.003 -1.061 . . . . 0.0 109.626 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 136.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -124.17 139.64 53.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.985 -1.072 . . . . 0.0 109.968 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -109.8 40.18 1.96 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 p -97.63 165.71 11.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.011 -1.056 . . . . 0.0 109.124 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.79 -39.76 65.73 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.836 -1.165 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -66.07 -40.45 90.88 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.981 -1.075 . . . . 0.0 109.484 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.4 mmt -100.87 62.1 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -107.21 56.81 0.64 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.094 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.18 57.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.83 178.77 0.94 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.04 -1.271 . . . . 0.0 110.497 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.68 179.21 7.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.775 -1.203 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -137.22 138.29 39.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.015 -1.053 . . . . 0.0 109.216 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.46 109.93 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.978 -1.076 . . . . 0.0 109.623 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.7 mt -91.35 116.46 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.989 -1.069 . . . . 0.0 108.872 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.435 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 3.2 m-85 -88.22 148.14 24.51 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.443 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -49.5 -35.57 20.33 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.78 164.13 28.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.556 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.31 -37.66 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.078 -1.013 . . . . 0.0 110.175 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.4 p -58.23 -34.47 70.45 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.961 -1.087 . . . . 0.0 110.488 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -64.46 -36.91 85.71 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.767 -1.208 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -27.36 61.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.857 -1.152 . . . . 0.0 109.605 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 m -68.18 -39.2 82.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.874 -1.141 . . . . 0.0 109.44 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -68.13 -41.39 81.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.097 . . . . 0.0 109.094 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.43 71.34 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.068 -1.02 . . . . 0.0 109.556 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.12 -35.99 77.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.019 -1.051 . . . . 0.0 109.765 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -94.24 56.89 2.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -160.11 -56.54 0.06 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.055 -1.028 . . . . 0.0 109.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -104.72 36.52 2.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.21 105.38 0.33 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.955 -1.091 . . . . 0.0 108.836 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.06 1.47 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.74 -1.744 . . . . 0.0 108.74 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -116.82 167.05 11.37 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.117 -1.225 . . . . 0.0 109.961 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.08 126.95 8.16 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.962 1.774 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.29 112.01 8.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 108.889 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.457 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 70.4 m-85 71.36 -83.94 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 122.114 -0.366 . . . . 0.0 110.394 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -154.88 47.28 0.54 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.581 -1.325 . . . . 0.0 110.245 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -179.44 156.13 0.8 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 120.977 -1.077 . . . . 0.0 110.15 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.51 141.87 22.87 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.762 1.642 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -140.68 130.89 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 0.0 110.218 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -100.96 150.01 23.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.207 -0.933 . . . . 0.0 108.696 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.85 136.82 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.069 -1.02 . . . . 0.0 110.557 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -130.19 140.71 50.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.92 151.15 2.64 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.882 -1.136 . . . . 0.0 109.891 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 178.2 2.73 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.16 -44.33 8.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 109.156 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.9 p -119.34 179.99 4.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.117 -0.989 . . . . 0.0 109.6 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -94.67 -176.05 3.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.3 t -103.43 166.66 10.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.067 -1.021 . . . . 0.0 109.612 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -96.49 -24.24 16.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.037 -1.039 . . . . 0.0 110.956 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -25.65 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.46 -1.4 . . . . 0.0 109.341 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.502 2.138 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.684 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 CA--C 1.535 0.559 0 N-CA-C 110.507 -0.613 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.81 156.53 17.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.145 -0.972 . . . . 0.0 109.406 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -55.52 -38.3 69.06 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.04 -1.037 . . . . 0.0 109.792 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.499 ' OG1' ' OG ' ' A' ' 90' ' ' SER . 47.4 m -106.78 140.94 38.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.089 . . . . 0.0 109.826 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.415 ' CG1' ' CG1' ' A' ' 56' ' ' VAL . 11.6 pt -107.69 146.05 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.134 -0.979 . . . . 0.0 109.307 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 42.7 t80 -104.7 124.52 49.53 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.274 -0.891 . . . . 0.0 109.43 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mt -101.72 153.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.017 -1.052 . . . . 0.0 109.093 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -141.49 173.97 10.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.946 -1.097 . . . . 0.0 109.581 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 60.24 58.53 2.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.056 -1.028 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' ASN . 62.0 mt -114.12 47.72 1.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.996 -1.065 . . . . 0.0 109.652 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 5.8 t-20 55.87 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.188 -0.945 . . . . 0.0 110.87 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.54 39.9 3.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.075 -1.015 . . . . 0.0 109.953 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -147.65 34.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.993 -1.067 . . . . 0.0 110.107 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mt -115.28 156.72 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.905 -1.122 . . . . 0.0 110.095 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -91.09 -179.16 5.37 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.191 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -79.41 -38.7 34.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.049 -1.032 . . . . 0.0 109.699 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.43 -25.67 65.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.045 -1.035 . . . . 0.0 108.878 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.17 -54.81 7.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.867 -1.145 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.7 -20.53 64.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.937 -1.102 . . . . 0.0 111.253 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -84.93 -27.85 26.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.457 -1.402 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.87 -29.67 50.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.7 -1.25 . . . . 0.0 110.265 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -88.71 -36.04 16.4 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.653 -1.279 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.09 -41.44 67.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.858 -1.151 . . . . 0.0 109.625 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.36 -67.3 0.7 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.783 -1.198 . . . . 0.0 109.976 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.96 -59.66 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 112.103 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -61.78 -37.52 84.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.716 -1.24 . . . . 0.0 110.277 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 t -51.88 -35.69 46.06 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.896 -1.127 . . . . 0.0 110.471 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -53.79 -49.8 67.51 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.751 -1.218 . . . . 0.0 109.714 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.43 -58.73 6.97 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.008 -1.058 . . . . 0.0 109.513 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.35 -158.48 8.25 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -89.8 149.81 22.53 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.083 -1.245 . . . . 0.0 109.425 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.07 117.16 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 109.608 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.28 -68.75 0.3 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.051 -1.031 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -148.25 162.21 39.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 109.747 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mt -129.87 133.61 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.961 -1.087 . . . . 0.0 109.393 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.4 128.69 50.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 109.749 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.82 160.27 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.995 -1.065 . . . . 0.0 108.786 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 147.46 28.07 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.899 -1.126 . . . . 0.0 109.972 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -117.88 37.23 4.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 0.0 109.739 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.4 p -96.95 173.81 7.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.206 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -41.21 69.52 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 109.538 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -66.2 -39.11 89.4 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.997 -1.065 . . . . 0.0 109.74 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mtp -107.05 57.92 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.944 -1.097 . . . . 0.0 109.41 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.02 144.79 30.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.043 -1.036 . . . . 0.0 109.646 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.87 38.46 84.23 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -159.64 150.19 19.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.975 -1.309 . . . . 0.0 109.824 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.65 -172.66 4.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.052 -1.03 . . . . 0.0 110.377 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.6 m-85 -142.59 150.17 39.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.137 -0.977 . . . . 0.0 109.045 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 11' ' ' ILE . 14.5 p -138.63 137.61 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.018 -1.051 . . . . 0.0 109.739 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.37 122.41 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 109.22 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.418 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 68.7 m-85 -93.69 155.49 17.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 109.253 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.21 -39.57 60.37 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.97 -1.081 . . . . 0.0 109.529 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.5 174.63 8.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.105 -0.997 . . . . 0.0 109.147 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.54 -37.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.966 -1.084 . . . . 0.0 109.776 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -60.48 -32.16 71.15 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.96 -1.087 . . . . 0.0 110.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -34.32 78.15 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.779 -1.201 . . . . 0.0 110.604 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.89 65.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.697 -1.252 . . . . 0.0 108.94 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -61.03 -37.49 82.78 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.091 -1.005 . . . . 0.0 109.857 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -71.48 -36.61 71.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.933 -1.104 . . . . 0.0 109.509 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.47 60.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.806 -1.184 . . . . 0.0 111.381 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -39.96 10.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.331 -1.48 . . . . 0.0 110.463 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -75.63 -45.58 36.47 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.895 -1.128 . . . . 0.0 109.485 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.44 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 56.6 m -65.11 -36.04 83.02 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.117 -0.989 . . . . 0.0 109.694 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mmm -102.87 35.66 2.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.909 -1.12 . . . . 0.0 109.908 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.29 101.76 4.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.901 -1.125 . . . . 0.0 108.767 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.85 70.56 1.26 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.9 m-85 -116.35 168.52 8.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.133 -1.216 . . . . 0.0 110.017 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.49 109.38 2.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.089 1.859 . . . . 0.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.73 120.76 24.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.045 -1.034 . . . . 0.0 108.244 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 59.86 40.08 19.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.73 67.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.01 -1.057 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 178.84 146.76 0.37 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 120.913 -1.117 . . . . 0.0 109.998 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.15 113.34 3.38 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.538 1.492 . . . . 0.0 109.887 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.48 126.5 46.84 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.999 -1.063 . . . . 0.0 110.295 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -95.76 145.48 25.29 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.037 -1.039 . . . . 0.0 108.801 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.5 mt -105.0 137.01 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.031 -1.043 . . . . 0.0 110.343 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.54 135.29 38.35 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -45.02 162.78 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.194 -0.941 . . . . 0.0 111.225 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.66 -170.69 3.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.23 -0.919 . . . . 0.0 109.214 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -79.9 -51.36 9.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.007 -1.058 . . . . 0.0 109.002 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -132.23 -179.69 5.58 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.178 -0.951 . . . . 0.0 109.789 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.37 -175.96 0.54 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.179 -0.951 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.499 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.0 156.83 16.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.079 . . . . 0.0 109.394 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -29.86 51.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.04 -1.037 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.97 -24.99 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.703 -1.248 . . . . 0.0 109.163 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.499 1.978 0 O-C-N 120.65 -1.282 . . . . 0.0 107.6 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.537 0.671 0 N-CA-C 110.502 -0.615 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -141.45 -178.59 5.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.058 -1.026 . . . . 0.0 109.118 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.0 OUTLIER -101.37 33.29 2.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.036 -1.04 . . . . 0.0 110.172 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 78.7 m -167.92 123.8 1.05 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.813 -1.179 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pp -88.8 163.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.949 -1.095 . . . . 0.0 109.088 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.423 ' OH ' ' OE1' ' A' ' 53' ' ' GLN . 16.2 t80 -132.44 129.17 38.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.034 -1.041 . . . . 0.0 109.568 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -104.37 153.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -140.63 169.33 17.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.054 -1.028 . . . . 0.0 109.471 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.7 57.38 4.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 109.498 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' ASN . 18.1 mt -100.42 45.7 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.562 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LEU . 6.8 t30 56.7 160.92 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.089 -1.007 . . . . 0.0 110.746 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.99 36.8 3.35 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.962 -1.086 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -151.21 35.0 0.58 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.889 -1.132 . . . . 0.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 8.6 mm -101.6 152.47 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.851 -1.156 . . . . 0.0 109.822 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.44 -177.05 6.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -86.48 -39.34 16.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 109.298 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.51 -25.85 54.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.182 -0.949 . . . . 0.0 108.861 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -76.02 -45.09 36.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.92 -1.112 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.58 -33.26 74.65 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.896 -1.128 . . . . 0.0 110.371 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -31.48 66.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.797 -1.189 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.76 -34.2 66.84 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.67 -1.269 . . . . 0.0 110.241 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -75.1 -33.37 61.62 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.784 -1.198 . . . . 0.0 110.494 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.03 -30.84 61.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.779 -1.201 . . . . 0.0 110.585 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -83.28 -23.5 32.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.781 -1.2 . . . . 0.0 111.093 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -33.18 21.96 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.546 -1.346 . . . . 0.0 110.506 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 O-C-N 120.826 -1.171 . . . . 0.0 110.218 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.39 -29.26 18.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.804 -1.185 . . . . 0.0 111.504 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.571 -1.331 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.66 40.98 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.584 -1.322 . . . . 0.0 110.641 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CE1' ' OD1' ' A' ' 66' ' ' ASN . 14.3 m-85 -63.65 -52.24 61.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.812 -1.18 . . . . 0.0 109.104 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.72 -107.23 0.47 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -145.8 129.87 17.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.115 -1.227 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.3 mt -94.99 143.93 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.065 -1.022 . . . . 0.0 109.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.5 mt -94.74 -38.4 10.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.079 -1.013 . . . . 0.0 110.303 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -166.47 142.93 4.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.891 -1.131 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.9 mt -120.46 112.84 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.982 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.23 114.44 26.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.951 -1.093 . . . . 0.0 110.033 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 t -110.59 160.62 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.133 -0.98 . . . . 0.0 108.477 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.9 t -154.81 165.43 36.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.801 -1.187 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -133.99 38.77 3.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.674 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.4 p -89.66 164.66 14.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.968 -1.082 . . . . 0.0 108.73 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.76 -53.06 62.32 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.843 -1.161 . . . . 0.0 109.118 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -59.86 -40.19 87.75 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.089 -1.007 . . . . 0.0 109.406 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 mtp -105.25 63.67 0.7 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.029 -1.045 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.23 138.15 46.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.98 -1.075 . . . . 0.0 109.521 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.36 38.23 96.08 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 12' ' ' TYR . 10.3 pt20 -153.16 158.32 41.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.837 -1.39 . . . . 0.0 109.637 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.52 173.97 14.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.0 -1.062 . . . . 0.0 110.154 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.16 121.46 26.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.4 131.27 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.875 -1.141 . . . . 0.0 108.845 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.9 mm -105.5 140.48 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.078 -1.014 . . . . 0.0 109.31 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.55 143.93 44.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.016 -1.053 . . . . 0.0 109.35 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -52.47 -39.97 61.78 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.955 -1.091 . . . . 0.0 109.684 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -125.26 148.35 48.71 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.162 -0.961 . . . . 0.0 109.266 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.6 -34.34 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.092 -1.005 . . . . 0.0 110.156 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 p -60.79 -38.3 84.84 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.854 -1.154 . . . . 0.0 109.805 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.24 -34.56 72.37 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.938 -1.101 . . . . 0.0 110.504 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.86 -34.69 66.91 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.76 -1.212 . . . . 0.0 109.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 m -59.31 -38.85 81.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' OD1' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -69.93 -37.5 75.93 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.63 -3.59 47.83 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.909 -1.119 . . . . 0.0 111.302 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.58 -44.47 7.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.319 -1.488 . . . . 0.0 109.896 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -81.56 -42.47 20.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 109.461 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 58.4 m -63.94 -31.5 72.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 80.2 mmm -102.88 37.41 1.96 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.701 -1.249 . . . . 0.0 109.703 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -77.93 108.14 10.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.079 . . . . 0.0 109.311 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.59 58.8 6.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -102.44 170.96 5.71 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.256 . . . . 0.0 109.841 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -80.02 137.12 12.11 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.014 1.81 . . . . 0.0 110.687 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.2 106.92 2.84 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.072 -1.018 . . . . 0.0 109.344 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.463 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 90.6 m-85 58.72 44.85 16.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.179 -0.951 . . . . 0.0 109.704 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.41 68.59 0.83 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.129 -0.982 . . . . 0.0 109.817 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.2 151.5 0.44 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.959 -1.088 . . . . 0.0 110.057 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.07 134.99 13.48 Favored 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.76 1.64 . . . . 0.0 109.949 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.18 121.31 23.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 0.0 110.403 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -100.3 144.75 28.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.119 -0.988 . . . . 0.0 108.422 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.0 134.2 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.968 -1.082 . . . . 0.0 110.629 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -131.0 141.25 50.23 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -52.09 168.88 0.08 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.729 -1.232 . . . . 0.0 109.556 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.67 174.34 7.55 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.005 -1.06 . . . . 0.0 109.74 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -95.5 -44.36 7.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.036 -1.04 . . . . 0.0 109.517 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.0 p -99.09 178.66 4.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.045 -1.035 . . . . 0.0 109.657 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -100.75 -179.37 4.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.05 -1.031 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 157.9 18.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.074 -1.016 . . . . 0.0 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -93.38 -26.79 17.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.012 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 93' ' ' ILE . 2.4 pp -56.98 -27.3 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.579 -1.326 . . . . 0.0 109.46 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CG2' ' CD2' ' A' ' 9' ' ' HIS . 1.1 mm . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 CA--C 1.536 0.621 0 N-CA-C 110.258 -0.708 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -102.11 -172.24 2.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -85.65 -37.9 18.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.098 -1.001 . . . . 0.0 109.723 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -106.92 156.18 18.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.071 . . . . 0.0 110.142 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 3.3 pt -116.23 161.24 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 25.5 t80 -132.54 137.75 47.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.033 -1.042 . . . . 0.0 109.694 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.26 138.41 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.021 -1.05 . . . . 0.0 109.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -135.17 -171.03 2.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.044 -1.035 . . . . 0.0 109.266 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 59.65 47.07 11.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.903 -1.123 . . . . 0.0 109.425 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -177.54 3.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.987 -1.071 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -77.03 153.44 34.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.88 -1.138 . . . . 0.0 109.447 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -103.83 39.81 1.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 109.804 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -151.81 37.13 0.57 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.963 -1.086 . . . . 0.0 109.857 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.79 157.14 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.025 -1.047 . . . . 0.0 109.883 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -91.35 179.59 5.65 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.142 -1.023 . . . . 0.0 108.936 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -37.09 26.89 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.964 -1.085 . . . . 0.0 109.702 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.75 -18.07 60.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.072 -1.018 . . . . 0.0 109.697 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -85.89 -44.44 12.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.587 -1.321 . . . . 0.0 110.271 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tp -70.4 -33.15 71.05 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.855 -1.153 . . . . 0.0 110.217 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -33.8 62.55 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.843 -1.161 . . . . 0.0 109.674 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -68.11 -34.32 76.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.784 -1.197 . . . . 0.0 110.194 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -74.47 -40.04 62.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.726 -1.234 . . . . 0.0 109.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.72 -30.23 71.23 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.985 -1.072 . . . . 0.0 110.639 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -77.87 -24.97 48.36 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.692 -1.255 . . . . 0.0 111.132 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.09 -37.65 28.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.598 -1.314 . . . . 0.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.03 -55.53 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.901 -1.124 . . . . 0.0 110.921 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 67.1 m-85 -60.19 -31.07 69.79 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.768 -1.207 . . . . 0.0 110.894 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -70.9 -30.25 66.54 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.657 -1.277 . . . . 0.0 111.303 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -50.13 -30.0 10.29 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.593 -1.317 . . . . 0.0 111.144 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -79.1 -53.02 7.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.611 -1.306 . . . . 0.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.35 -146.77 4.41 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -106.62 135.65 47.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.039 -1.271 . . . . 0.0 109.436 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.32 128.24 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.975 -1.078 . . . . 0.0 109.225 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -40.91 64.65 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.051 -1.03 . . . . 0.0 109.471 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.37 138.63 0.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.012 -1.055 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.01 143.49 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.063 -1.023 . . . . 0.0 109.048 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.17 141.67 51.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.961 -1.087 . . . . 0.0 110.027 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.87 128.24 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 108.985 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.25 154.94 19.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.969 -1.082 . . . . 0.0 109.841 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.49 38.39 2.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.041 -1.037 . . . . 0.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -100.5 -176.51 3.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.016 -1.052 . . . . 0.0 109.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.99 -53.25 27.38 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.929 -1.107 . . . . 0.0 109.856 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -67.11 -37.97 84.84 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -105.46 58.59 0.67 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.938 -1.101 . . . . 0.0 109.462 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.13 139.73 41.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 109.464 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.01 51.69 51.14 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -168.3 158.1 9.67 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.046 -1.267 . . . . 0.0 110.245 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.07 150.72 25.98 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.931 -1.106 . . . . 0.0 110.179 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 49.6 m-85 -108.13 154.23 22.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.086 -1.009 . . . . 0.0 109.103 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.77 124.18 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.121 . . . . 0.0 109.643 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.81 117.13 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.285 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.68 146.2 24.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.054 -1.029 . . . . 0.0 109.332 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -54.7 -40.43 69.17 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.4 155.56 40.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.033 -1.042 . . . . 0.0 109.223 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.022 -1.049 . . . . 0.0 109.959 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 p -59.97 -37.71 80.39 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.994 -1.066 . . . . 0.0 110.159 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.886 -1.134 . . . . 0.0 110.377 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.01 56.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.764 -1.21 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -37.48 86.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 109.514 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -77.29 -36.39 54.27 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.934 -1.104 . . . . 0.0 109.576 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.08 -8.72 57.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.887 -1.133 . . . . 0.0 111.484 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -100.74 -47.77 4.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.349 -1.469 . . . . 0.0 110.189 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -70.49 -41.68 72.39 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.028 -1.045 . . . . 0.0 109.503 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 -37.6 87.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.082 -1.011 . . . . 0.0 109.484 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.8 mmm -103.23 35.57 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.909 -1.119 . . . . 0.0 109.868 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -70.35 113.5 7.56 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 108.667 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.48 70.12 1.11 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.585 -1.806 . . . . 0.0 108.585 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.94 172.31 4.43 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.087 -1.243 . . . . 0.0 109.865 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.44 140.01 18.87 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.91 1.74 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -159.36 112.83 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.25 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.99 41.92 13.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.0 t70 57.33 63.99 1.72 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.163 -0.961 . . . . 0.0 109.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 179.48 144.1 0.35 Allowed Pre-proline 0 N--CA 1.499 2.025 0 O-C-N 120.921 -1.112 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 126.4 7.69 Favored 'Trans proline' 0 C--N 1.323 -0.765 0 C-N-CA 121.642 1.562 . . . . 0.0 110.018 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.37 135.28 40.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.994 -1.066 . . . . 0.0 110.124 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -104.85 146.72 28.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 108.639 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -107.48 136.74 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.006 -1.059 . . . . 0.0 110.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.24 133.57 41.01 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -51.43 133.96 29.11 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.805 -1.184 . . . . 0.0 109.816 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -176.91 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.021 -1.049 . . . . 0.0 109.475 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -92.3 -44.17 8.88 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.96 -1.088 . . . . 0.0 109.332 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.4 p -104.32 179.65 4.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.032 -1.042 . . . . 0.0 109.459 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -93.49 177.59 5.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.07 -1.019 . . . . 0.0 109.463 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.439 ' OG ' ' CG1' ' A' ' 93' ' ' ILE . 1.7 p -72.64 154.53 40.7 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.097 -1.002 . . . . 0.0 109.419 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.04 -30.74 15.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.03 -1.044 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.24 -24.59 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.669 -1.27 . . . . 0.0 109.604 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' OG ' ' A' ' 90' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.137 0 O-C-N 120.472 -1.393 . . . . 0.0 107.316 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.678 0 N-CA-C 110.506 -0.613 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -132.73 -177.02 4.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.061 -1.025 . . . . 0.0 109.405 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.9 OUTLIER -102.49 33.98 2.95 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 86.9 m -167.95 118.76 0.82 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.934 -1.104 . . . . 0.0 110.024 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.9 pt -83.08 169.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.923 -1.111 . . . . 0.0 109.155 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -137.75 143.62 41.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.0 109.251 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -133.07 147.01 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -143.13 -175.24 4.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.021 -1.049 . . . . 0.0 109.471 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.36 50.28 4.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.934 -1.104 . . . . 0.0 109.372 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 -178.34 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.025 -1.047 . . . . 0.0 109.317 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -92.07 149.49 21.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.582 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.07 37.88 1.77 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -111.43 -55.36 2.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.919 -1.113 . . . . 0.0 109.368 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -56.1 155.64 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.132 -0.98 . . . . 0.0 108.854 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.72 -166.58 1.51 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 110.137 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -85.38 -35.92 21.05 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.959 -1.088 . . . . 0.0 110.602 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.03 -38.83 86.62 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.948 -1.095 . . . . 0.0 108.56 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 mm-40 -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.981 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -51.26 -36.84 43.97 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.113 -0.992 . . . . 0.0 110.499 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -68.57 -42.36 78.41 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.888 -1.132 . . . . 0.0 109.333 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -57.06 -33.25 67.05 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.023 -1.048 . . . . 0.0 110.59 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m -75.4 -48.73 21.56 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.718 -1.239 . . . . 0.0 110.434 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.4 mt -53.38 -33.15 52.62 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.923 -1.111 . . . . 0.0 110.752 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 34' ' ' SER . 14.3 t-80 -76.44 -41.38 47.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.776 -1.203 . . . . 0.0 109.929 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.21 68.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.115 -0.991 . . . . 0.0 110.964 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -83.63 -54.82 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 120.654 -1.278 . . . . 0.0 111.385 -178.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.56 48.17 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.742 -1.224 . . . . 0.0 110.871 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 2.7 p -116.46 -57.37 2.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 109.566 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.52 -33.77 15.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.995 -1.065 . . . . 0.0 110.658 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.32 -63.54 1.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.76 -1.212 . . . . 0.0 109.382 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.83 -120.73 1.57 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -130.16 143.35 50.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.013 -1.286 . . . . 0.0 109.487 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.2 mt -108.2 112.56 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.046 -1.034 . . . . 0.0 109.55 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -41.6 85.4 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.013 -1.055 . . . . 0.0 109.184 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 165.31 1.51 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.073 -1.017 . . . . 0.0 110.635 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.6 mt -132.25 127.46 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 108.89 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.14 141.4 35.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.989 -1.07 . . . . 0.0 110.119 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.99 122.49 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.971 . . . . 0.0 108.839 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.89 162.3 14.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.948 -1.095 . . . . 0.0 109.968 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.02 34.59 5.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.086 -1.008 . . . . 0.0 110.088 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 p -100.68 170.14 8.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.887 -1.133 . . . . 0.0 108.947 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.82 -59.37 4.71 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.814 -1.179 . . . . 0.0 110.042 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -56.13 -36.76 68.59 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.953 -1.092 . . . . 0.0 109.866 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -99.78 47.25 0.95 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.796 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -110.57 131.2 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.888 -1.132 . . . . 0.0 109.344 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.23 40.87 94.96 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -170.86 147.47 2.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.299 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.95 178.73 7.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.022 -1.049 . . . . 0.0 110.067 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 14.8 m-85 -128.06 139.24 52.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.063 -1.023 . . . . 0.0 109.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 142.7 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.987 -1.07 . . . . 0.0 109.52 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -121.88 147.98 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.037 . . . . 0.0 109.211 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 95.5 m-85 -123.38 152.86 41.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -50.21 -39.43 44.27 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.001 -1.062 . . . . 0.0 109.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -125.39 175.79 7.24 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.058 -1.026 . . . . 0.0 109.48 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -81.74 -37.42 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.1 -1.0 . . . . 0.0 109.801 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -59.06 -30.57 68.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.011 -1.055 . . . . 0.0 110.599 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -67.83 -36.23 80.01 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.653 -1.28 . . . . 0.0 110.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' CB ' ' CD2' ' A' ' 58' ' ' PHE . . . -73.29 -28.33 62.05 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.841 -1.162 . . . . 0.0 109.637 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.0 m -70.45 -36.98 74.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.057 . . . . 0.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.9 -39.18 76.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.81 -1.181 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.0 82.37 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.993 -1.067 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -41.05 83.51 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.856 -1.152 . . . . 0.0 110.0 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -70.95 -22.08 62.26 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.954 -1.091 . . . . 0.0 111.296 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 p -78.04 -38.14 45.23 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.544 -1.347 . . . . 0.0 110.014 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mmm -110.33 38.7 2.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.49 103.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.92 -1.113 . . . . 0.0 108.903 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.6 64.78 3.81 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.48 165.69 29.53 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.055 -1.262 . . . . 0.0 109.441 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.05 139.64 17.33 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.833 1.689 . . . . 0.0 110.319 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 23.3 t80 -134.03 -60.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 109.455 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 2.8 m-85 -112.53 66.76 0.65 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.06 42.34 19.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.022 -1.049 . . . . 0.0 109.77 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.37 156.59 0.83 Allowed Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 121.013 -1.055 . . . . 0.0 110.268 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.42 146.08 24.31 Favored 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.848 1.699 . . . . 0.0 110.128 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.14 138.79 16.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.33 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -102.36 146.32 28.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 108.863 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -107.48 138.25 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.03 -1.044 . . . . 0.0 110.142 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.74 141.64 38.87 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -51.69 176.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.797 -1.189 . . . . 0.0 109.926 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.19 170.54 9.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.979 -1.076 . . . . 0.0 109.49 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -92.08 -41.24 10.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 109.447 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 p -96.46 174.46 6.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.097 -1.002 . . . . 0.0 109.41 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -99.11 147.42 25.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.081 -1.012 . . . . 0.0 109.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -58.47 143.31 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.035 -1.04 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.76 -36.01 43.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.08 -1.013 . . . . 0.0 109.782 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.54 -24.79 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.854 -1.154 . . . . 0.0 109.575 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.027 0 O-C-N 120.411 -1.43 . . . . 0.0 107.253 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.666 0 N-CA-C 110.494 -0.618 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -100.64 -177.7 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.02 -1.05 . . . . 0.0 109.396 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -99.96 25.94 6.86 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.01 -1.056 . . . . 0.0 110.74 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 97.3 m -169.7 117.43 0.59 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.671 -1.268 . . . . 0.0 110.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 19.5 pt -72.02 172.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.913 -1.117 . . . . 0.0 108.348 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 69.2 t80 -147.54 143.55 27.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.964 -1.085 . . . . 0.0 109.656 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.43 132.17 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -129.18 -178.48 4.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t30 58.97 50.91 7.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.993 -1.067 . . . . 0.0 109.118 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -88.81 -177.23 5.46 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.023 -1.048 . . . . 0.0 109.492 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.79 149.01 24.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.084 -1.01 . . . . 0.0 109.25 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.06 56.07 2.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.008 . . . . 0.0 109.549 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -153.52 38.79 0.49 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.976 -1.077 . . . . 0.0 109.652 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mm -105.47 154.66 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.078 -1.014 . . . . 0.0 108.655 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -97.02 21.84 9.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.057 -1.027 . . . . 0.0 112.009 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 75.57 -75.11 0.07 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.022 0.828 . . . . 0.0 112.258 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.3 -34.46 72.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.411 -1.431 . . . . 0.0 108.288 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.92 -41.45 97.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.967 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -39.65 70.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.0 -1.062 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -68.36 -35.25 77.45 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.922 -1.111 . . . . 0.0 110.228 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -26.54 66.03 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.819 -1.176 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 8.6 t -81.24 -41.98 21.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.689 -1.257 . . . . 0.0 110.426 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.4 -49.31 74.31 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' OG ' ' A' ' 34' ' ' SER . 8.2 t-160 -67.13 -15.76 63.91 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.176 -0.953 . . . . 0.0 111.545 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.51 19.45 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.232 -1.543 . . . . 0.0 111.012 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.32 -54.83 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 120.72 -1.238 . . . . 0.0 111.473 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 28.2 m-85 -66.32 -36.99 84.32 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.83 -1.169 . . . . 0.0 110.983 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 96.4 p -52.78 -34.23 52.32 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.692 -1.255 . . . . 0.0 110.4 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -50.79 -50.33 56.32 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.625 -1.297 . . . . 0.0 110.058 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -60.12 -56.98 14.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.046 -1.034 . . . . 0.0 109.467 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.54 16.19 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.09 132.45 33.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.015 -1.285 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mt -90.73 129.66 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.063 -1.023 . . . . 0.0 109.11 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.82 4.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.127 -0.983 . . . . 0.0 109.472 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.01 144.07 17.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.057 -1.027 . . . . 0.0 110.23 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -115.55 125.4 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -107.98 136.31 47.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.911 -1.118 . . . . 0.0 110.233 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 m -130.49 121.91 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.786 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -112.67 156.14 23.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.12 . . . . 0.0 109.921 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -127.64 38.32 4.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.111 -0.993 . . . . 0.0 109.743 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.8 p -85.55 -174.14 5.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 109.176 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.25 -41.33 98.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.929 -1.107 . . . . 0.0 109.514 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -74.57 -39.86 62.01 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.095 -1.003 . . . . 0.0 109.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.19 59.03 2.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.021 -1.049 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 46.95 0.93 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.952 -1.092 . . . . 0.0 109.41 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.27 60.65 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' OH ' ' A' ' 12' ' ' TYR . 10.5 pt20 -175.92 153.06 1.3 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.098 -1.236 . . . . 0.0 110.105 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.33 152.95 39.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.937 -1.102 . . . . 0.0 110.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 41.1 m-85 -110.39 137.43 48.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.029 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG1' ' CE1' ' A' ' 58' ' ' PHE . 23.4 t -120.62 127.16 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.996 -1.065 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.7 mt -104.58 149.99 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.991 -1.068 . . . . 0.0 109.109 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CE1' ' CG1' ' A' ' 56' ' ' VAL . 18.1 m-85 -131.53 140.25 49.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 0.0 109.601 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -54.49 114.47 1.68 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.129 -0.982 . . . . 0.0 109.49 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 70.25 145.07 0.06 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.193 -0.942 . . . . 0.0 109.722 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.6 t -74.81 93.31 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.138 -0.976 . . . . 0.0 109.205 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -54.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.139 -0.976 . . . . 0.0 109.395 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 m -62.55 -40.07 95.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.165 -0.959 . . . . 0.0 108.417 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.29 73.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 108.199 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.8 m -57.88 -43.2 85.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.531 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.12 -44.53 91.97 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.044 -1.035 . . . . 0.0 108.556 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.83 -32.95 33.84 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.104 -0.998 . . . . 0.0 110.099 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -44.08 65.17 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 108.995 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 56.07 1.9 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 109.248 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 -56.56 0.06 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.101 -0.999 . . . . 0.0 110.057 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.3 mtp -105.2 37.18 2.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.056 -1.028 . . . . 0.0 109.688 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -59.17 102.92 0.14 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.875 -1.141 . . . . 0.0 109.095 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.46 66.01 2.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -110.22 171.1 4.66 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.25 . . . . 0.0 109.641 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.25 143.82 20.21 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.926 1.751 . . . . 0.0 110.625 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -157.55 109.3 2.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 58.01 42.05 23.27 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.38 68.98 0.72 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.019 -1.05 . . . . 0.0 109.748 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.9 144.34 0.29 Allowed Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 120.947 -1.095 . . . . 0.0 109.952 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 131.85 10.46 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.576 1.517 . . . . 0.0 110.106 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -137.61 119.74 15.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.983 -1.073 . . . . 0.0 110.047 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.65 148.72 24.68 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.114 -0.991 . . . . 0.0 108.878 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -105.4 135.49 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.177 -0.952 . . . . 0.0 110.345 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.75 136.32 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -49.79 174.45 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.876 -1.14 . . . . 0.0 110.418 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.95 -176.77 5.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -43.63 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.9 p -115.69 179.72 3.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.994 -1.066 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -81.13 179.04 8.04 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.085 -1.01 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -94.88 151.96 18.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.041 -1.037 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.49 -22.74 23.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.049 -1.032 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pt -57.7 -24.23 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.579 -1.326 . . . . 0.0 109.576 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 O-C-N 120.508 -1.37 . . . . 0.0 107.698 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 110.444 -0.637 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 109.374 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.81 -37.85 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.149 -0.969 . . . . 0.0 109.948 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 ' OG1' ' OG ' ' A' ' 90' ' ' SER . 94.0 m -106.82 153.01 23.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.099 . . . . 0.0 110.215 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.463 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.4 pt -113.12 158.56 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 0.0 108.814 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -125.51 150.02 47.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.064 -1.023 . . . . 0.0 109.773 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.25 141.42 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 108.979 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -142.71 -176.49 4.89 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.008 -1.057 . . . . 0.0 109.548 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 61.57 43.64 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.938 -1.101 . . . . 0.0 109.289 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.2 mt -100.33 -171.52 2.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.026 -1.046 . . . . 0.0 109.266 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -83.08 152.27 25.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.006 -1.059 . . . . 0.0 109.122 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.23 35.45 2.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.339 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -150.93 35.83 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.882 -1.136 . . . . 0.0 110.108 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 17.9 mm -93.77 154.5 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.861 -1.149 . . . . 0.0 110.071 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -84.13 -178.43 6.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -87.31 -40.7 14.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.996 -1.065 . . . . 0.0 109.092 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -25.77 57.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 108.764 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 41.7 mt-10 -75.96 -45.36 35.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.868 -1.145 . . . . 0.0 110.011 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.3 -31.28 70.6 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.853 -1.154 . . . . 0.0 110.736 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -77.49 -27.1 51.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.7 -1.25 . . . . 0.0 110.359 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -77.32 -28.72 53.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.615 -1.303 . . . . 0.0 110.102 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -81.05 -39.91 25.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.697 -1.252 . . . . 0.0 110.174 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -55.66 7.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.925 -1.11 . . . . 0.0 109.6 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -53.31 -27.76 24.73 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.231 -0.918 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.88 -69.63 0.53 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.651 -1.281 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.83 -59.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.002 -1.061 . . . . 0.0 112.005 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 81.4 m-85 -60.05 -37.93 81.29 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.86 -1.15 . . . . 0.0 110.711 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 t -54.41 -36.24 63.76 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.773 -1.204 . . . . 0.0 110.516 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.04 50.52 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.788 -1.195 . . . . 0.0 110.194 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -63.65 -55.8 20.74 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.36 -161.84 10.34 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -88.19 149.33 23.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.042 -1.269 . . . . 0.0 109.208 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.89 116.38 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.92 -40.35 80.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.065 -1.022 . . . . 0.0 109.797 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.22 162.12 0.8 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.008 -1.057 . . . . 0.0 110.488 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.0 mt -127.41 145.67 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.101 -0.999 . . . . 0.0 109.132 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.66 126.35 51.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.99 -1.069 . . . . 0.0 109.729 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 t -118.35 160.59 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.183 -0.948 . . . . 0.0 108.628 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.86 157.28 43.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.962 -1.086 . . . . 0.0 109.823 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -128.38 37.06 4.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.025 -1.047 . . . . 0.0 109.684 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.5 p -103.53 173.89 6.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.962 -1.086 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.02 -58.57 6.32 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 109.763 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -55.78 -42.68 75.88 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.046 -1.034 . . . . 0.0 109.794 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mmm -101.47 62.07 0.93 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.995 -1.066 . . . . 0.0 109.357 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.28 128.01 55.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.944 -1.098 . . . . 0.0 109.525 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.89 40.06 31.72 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -155.16 151.63 28.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.267 . . . . 0.0 109.885 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.74 153.03 38.74 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.004 -1.06 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 34.1 m-85 -113.93 135.55 53.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.002 -1.061 . . . . 0.0 109.388 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.99 132.02 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.892 -1.13 . . . . 0.0 109.31 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.63 121.54 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.13 147.8 25.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.085 -1.009 . . . . 0.0 109.097 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -54.09 -39.31 66.22 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.96 -1.088 . . . . 0.0 109.605 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.66 159.53 34.41 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.08 -1.012 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.35 -34.8 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.129 -0.982 . . . . 0.0 109.993 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -60.97 -37.92 84.12 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.98 -1.075 . . . . 0.0 109.91 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -34.53 72.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.802 -1.186 . . . . 0.0 110.342 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.64 56.0 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.787 -1.196 . . . . 0.0 109.752 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 m -63.84 -40.79 97.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.842 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.2 -40.86 64.42 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.383 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -25.8 65.48 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.009 -1.057 . . . . 0.0 110.754 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -37.89 17.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.543 -1.348 . . . . 0.0 110.456 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -40.22 84.56 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.827 -1.171 . . . . 0.0 109.428 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -85.56 -26.75 25.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.057 -1.027 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.6 mmm -101.28 33.71 2.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.556 -1.34 . . . . 0.0 110.318 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -78.19 98.12 5.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.831 -1.168 . . . . 0.0 108.469 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.5 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.48 164.62 15.86 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.269 . . . . 0.0 109.864 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -79.89 114.54 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.999 1.799 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.91 114.76 16.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.132 -0.98 . . . . 0.0 108.438 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.45 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 88.5 m-85 60.05 42.5 15.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.207 -0.933 . . . . 0.0 109.895 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.84 68.97 0.76 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.103 -0.998 . . . . 0.0 110.756 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 tttp 179.34 141.0 0.29 Allowed Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 120.899 -1.126 . . . . 0.0 110.187 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 114.97 3.66 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.409 1.406 . . . . 0.0 109.706 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.13 127.4 45.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 0.0 110.485 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.7 146.6 24.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.11 -0.994 . . . . 0.0 108.572 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -105.11 134.86 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.955 -1.091 . . . . 0.0 110.396 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.2 135.31 49.53 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -50.44 137.61 18.68 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 120.852 -1.155 . . . . 0.0 110.134 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 176.0 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.072 -1.018 . . . . 0.0 109.69 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -92.88 -41.65 9.94 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 0.0 109.793 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.9 p -113.04 179.58 3.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.647 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.04 -177.6 6.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.078 -1.014 . . . . 0.0 109.203 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.496 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 0.4 OUTLIER -99.96 140.57 34.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.04 -31.34 70.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.182 -0.949 . . . . 0.0 110.455 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -63.26 -25.9 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.696 -1.252 . . . . 0.0 109.257 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.499 2.001 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo . . . . . 0 CA--C 1.534 0.506 0 N-CA-C 110.76 -0.515 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -171.5 162.0 6.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.33 -0.856 . . . . 0.0 110.29 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.463 ' O ' ' OG1' ' A' ' 10' ' ' THR . 2.1 t-160 -100.82 33.37 2.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.891 -1.131 . . . . 0.0 110.377 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 51.1 m -168.66 141.26 2.83 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.812 -1.18 . . . . 0.0 110.125 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 pt -106.36 169.56 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.863 -1.148 . . . . 0.0 108.848 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 13.8 t80 -157.09 125.66 5.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 109.904 -178.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -106.04 143.32 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.184 -0.948 . . . . 0.0 108.669 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -129.87 48.93 2.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.973 -1.08 . . . . 0.0 109.843 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -147.05 46.26 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.064 -1.022 . . . . 0.0 109.169 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.38 179.2 5.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.0 109.541 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -102.24 165.06 11.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.076 -1.015 . . . . 0.0 109.209 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -97.12 48.26 1.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.367 -0.833 . . . . 0.0 109.844 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.27 37.86 0.49 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.906 -1.121 . . . . 0.0 109.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 11.4 mm -92.54 158.83 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.022 -1.049 . . . . 0.0 109.477 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -99.97 27.85 5.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt 65.97 -83.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.368 -0.832 . . . . 0.0 112.277 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.99 -27.95 55.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.225 -1.547 . . . . 0.0 108.853 179.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.36 -44.99 85.89 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.036 -1.04 . . . . 0.0 109.528 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.51 -16.26 64.11 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.944 -1.098 . . . . 0.0 111.39 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -84.48 -34.11 23.46 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.456 -1.402 . . . . 0.0 109.711 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -71.59 -36.49 70.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.782 -1.199 . . . . 0.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -76.97 -40.62 46.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.823 -1.173 . . . . 0.0 109.552 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.68 -30.33 71.31 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.979 -1.076 . . . . 0.0 110.818 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -72.63 -41.28 65.69 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 110.044 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.75 70.73 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.104 -0.997 . . . . 0.0 110.171 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -51.08 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.926 -1.109 . . . . 0.0 110.568 -178.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.66 36.88 1.33 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.007 -1.058 . . . . 0.0 111.716 -178.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -111.0 -49.47 3.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.692 -1.255 . . . . 0.0 109.989 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ptm85 -48.21 -28.94 3.31 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.75 -1.218 . . . . 0.0 111.507 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.43 53.68 2.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.586 -1.322 . . . . 0.0 110.85 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.26 -155.82 16.03 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.612 -1.305 . . . . 0.0 110.353 178.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -113.37 150.22 32.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.175 -1.191 . . . . 0.0 109.472 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.79 115.37 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.109 -0.995 . . . . 0.0 109.492 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -57.58 -43.66 84.74 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.992 -1.067 . . . . 0.0 109.464 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.01 166.75 1.6 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.024 -1.047 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.47 123.99 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 0.0 109.188 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mp -99.94 134.71 42.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.043 -1.036 . . . . 0.0 109.77 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.4 t -136.1 160.33 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.15 -0.969 . . . . 0.0 108.725 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.37 168.6 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.018 -1.051 . . . . 0.0 110.262 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -129.89 39.29 3.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.977 -1.077 . . . . 0.0 109.712 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 p -90.27 -179.86 5.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.953 -1.092 . . . . 0.0 109.393 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.82 -50.8 54.76 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.998 -1.063 . . . . 0.0 109.485 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.57 -40.0 74.44 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.074 -1.016 . . . . 0.0 109.77 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 mtm -107.27 63.72 0.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.56 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.23 40.44 1.46 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.871 -1.143 . . . . 0.0 109.437 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.93 55.65 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -170.25 152.97 4.29 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.054 -1.262 . . . . 0.0 109.621 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.08 153.71 50.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.89 -1.131 . . . . 0.0 110.062 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 12' ' ' TYR . 73.6 m-85 -115.63 135.44 54.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.007 -1.058 . . . . 0.0 109.116 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.99 148.54 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.965 -1.084 . . . . 0.0 109.405 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.04 148.16 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 0.0 109.176 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 27.7 m-85 -120.73 155.9 32.94 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.979 -1.076 . . . . 0.0 109.729 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -54.28 -39.9 67.33 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.005 -1.059 . . . . 0.0 109.439 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -124.13 176.74 6.2 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.137 -0.977 . . . . 0.0 109.23 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG2' ' ND1' ' A' ' 9' ' ' HIS . 48.4 t -81.33 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.6 p -56.7 -30.89 63.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.95 -1.094 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -67.58 -39.28 84.87 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.712 -1.243 . . . . 0.0 110.22 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.74 -24.12 60.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.912 -1.117 . . . . 0.0 109.595 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.03 -40.96 74.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.885 -1.134 . . . . 0.0 109.042 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.09 -42.5 94.01 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.054 -1.029 . . . . 0.0 108.668 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.48 -37.94 68.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.972 -1.08 . . . . 0.0 109.433 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.08 -40.32 94.46 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.617 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -94.27 55.88 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.892 -1.13 . . . . 0.0 109.472 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -149.3 -60.07 0.22 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.043 -1.036 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.5 mmm -109.88 38.37 2.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.081 -1.012 . . . . 0.0 109.337 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -67.43 109.07 3.04 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.905 -1.122 . . . . 0.0 109.154 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.14 59.9 4.06 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -131.31 157.7 77.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.093 -1.24 . . . . 0.0 109.647 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.89 131.44 10.09 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.965 1.777 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -127.62 -59.86 1.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -0.99 . . . . 0.0 109.229 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.431 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 3.0 m-85 -112.96 63.71 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.075 -1.016 . . . . 0.0 109.318 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.21 41.33 10.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.985 -1.072 . . . . 0.0 109.739 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -178.66 152.45 0.76 Allowed Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.104 -0.997 . . . . 0.0 110.063 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.4 149.73 27.84 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.731 1.621 . . . . 0.0 110.192 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -146.82 147.73 31.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.992 -1.067 . . . . 0.0 110.183 -179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -107.03 156.44 18.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.938 . . . . 0.0 109.534 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.8 mm -109.36 129.52 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.06 -1.025 . . . . 0.0 110.049 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.55 133.11 22.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.975 -1.078 . . . . 0.0 108.807 179.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -53.96 171.14 0.11 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.684 -1.26 . . . . 0.0 109.114 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.6 -171.09 3.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.008 -1.058 . . . . 0.0 108.958 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -43.29 20.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.962 -1.086 . . . . 0.0 109.38 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -123.65 179.24 4.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.987 -1.071 . . . . 0.0 109.724 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -66.54 -174.14 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.086 -1.008 . . . . 0.0 108.888 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 144.15 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.944 -1.097 . . . . 0.0 109.065 179.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.92 -39.38 87.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.009 -1.057 . . . . 0.0 110.163 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 pt -58.75 -26.95 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.897 -1.127 . . . . 0.0 110.24 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.503 2.199 0 O-C-N 120.448 -1.407 . . . . 0.0 108.659 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo . . . . . 0 CA--C 1.536 0.588 0 N-CA-C 110.375 -0.664 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.32 -70.14 0.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.015 . . . . 0.0 109.917 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 169.56 -44.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.166 -0.959 . . . . 0.0 109.167 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.508 ' OG1' ' OG ' ' A' ' 90' ' ' SER . 88.6 m -108.77 118.86 37.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 110.272 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.435 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.5 pt -76.29 171.24 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.954 -1.091 . . . . 0.0 108.608 178.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.461 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 52.8 t80 -136.62 117.71 14.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.95 -1.094 . . . . 0.0 109.964 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mt -90.01 151.31 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.021 -1.049 . . . . 0.0 108.924 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -141.01 160.34 40.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.046 -1.034 . . . . 0.0 109.746 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.69 49.31 0.4 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.863 -1.148 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.51 -177.07 6.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.952 -1.092 . . . . 0.0 109.32 179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -99.52 150.22 22.43 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.018 -1.051 . . . . 0.0 109.96 -179.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -105.59 61.3 0.67 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.131 -0.98 . . . . 0.0 109.474 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.9 -59.31 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.078 . . . . 0.0 109.55 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.475 ' CD1' ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -54.88 155.49 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 O-C-N 121.158 -0.964 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -170.35 3.03 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.225 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -82.82 -36.58 25.41 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.992 -1.067 . . . . 0.0 110.358 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.48 -37.99 77.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.9 -1.125 . . . . 0.0 108.683 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.46 -45.59 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.994 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -65.56 -17.8 64.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.267 -0.896 . . . . 0.0 111.13 179.654 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -77.41 -33.44 55.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.473 -1.392 . . . . 0.0 109.636 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.17 -27.7 63.71 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.717 -1.239 . . . . 0.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -81.95 -41.85 20.24 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.708 -1.245 . . . . 0.0 110.628 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.76 -58.79 3.47 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.798 -1.188 . . . . 0.0 109.849 -179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -52.55 -27.49 16.88 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.113 -0.992 . . . . 0.0 111.047 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.3 -69.13 0.52 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.634 -1.291 . . . . 0.0 110.355 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.29 -57.75 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.943 -1.098 . . . . 0.0 111.607 -178.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.435 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 32.8 m-85 -60.39 -37.59 81.26 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.843 -1.16 . . . . 0.0 110.673 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 t -55.11 -36.42 65.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.788 -1.195 . . . . 0.0 110.239 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -51.88 -46.11 64.38 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.728 -1.232 . . . . 0.0 110.048 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -52.76 -57.39 10.29 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.964 -1.085 . . . . 0.0 109.716 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.15 -120.25 0.92 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.83 130.63 50.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.244 . . . . 0.0 109.284 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.0 mt -95.03 136.72 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.008 -1.058 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mp -90.56 -41.13 11.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.032 -1.042 . . . . 0.0 109.421 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -161.14 160.17 29.91 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.064 -1.022 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.69 157.86 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.094 -1.004 . . . . 0.0 108.821 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.17 126.15 34.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.895 -1.128 . . . . 0.0 109.943 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.16 22.34 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.507 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -47.29 144.14 2.99 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.787 -1.196 . . . . 0.0 110.567 -179.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.433 ' O ' ' OG ' ' A' ' 47' ' ' SER . 16.5 mtm180 -97.81 -75.37 0.55 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 79.6 p 47.81 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.955 -1.091 . . . . 0.0 110.164 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.97 -37.05 27.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.498 -1.376 . . . . 0.0 109.571 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.03 -41.78 70.36 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.931 -1.105 . . . . 0.0 110.098 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.0 mmt -93.97 59.02 2.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.898 -1.126 . . . . 0.0 109.404 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -100.54 46.88 0.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.973 -1.08 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.38 58.56 0.03 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 1.1 pt20 -178.4 171.9 1.55 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.126 -1.22 . . . . 0.0 109.953 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.56 173.1 17.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.507 -1.371 . . . . 0.0 110.692 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -128.11 113.5 15.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.158 -0.964 . . . . 0.0 108.987 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.0 t -103.79 140.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.889 -1.132 . . . . 0.0 109.446 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mt -119.99 145.77 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.009 -1.057 . . . . 0.0 109.378 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -119.86 150.61 40.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.931 -1.105 . . . . 0.0 109.285 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -40.77 70.09 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.019 -1.051 . . . . 0.0 109.476 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.7 164.19 15.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.117 -0.99 . . . . 0.0 109.451 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -74.6 -38.7 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.061 -1.024 . . . . 0.0 109.691 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 p -60.3 -34.49 73.85 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.065 -1.022 . . . . 0.0 110.295 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -36.86 77.01 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.832 -1.167 . . . . 0.0 110.338 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.15 62.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.827 -1.17 . . . . 0.0 109.367 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -59.48 -38.77 81.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.986 -1.071 . . . . 0.0 109.436 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -36.85 66.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.959 -1.088 . . . . 0.0 109.479 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.15 -7.12 54.07 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.878 -1.139 . . . . 0.0 111.512 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -42.97 6.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.328 -1.482 . . . . 0.0 110.292 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -76.94 -40.23 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.918 -1.114 . . . . 0.0 109.858 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -63.16 -38.86 92.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.997 -1.065 . . . . 0.0 109.653 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -107.29 37.91 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.986 -1.071 . . . . 0.0 109.79 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 98.25 9.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.008 -1.057 . . . . 0.0 109.107 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.41 55.2 2.51 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -123.47 156.41 64.18 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.04 -1.27 . . . . 0.0 109.636 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.68 135.72 14.69 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.824 1.682 . . . . 0.0 110.093 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -137.12 -59.81 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.045 -1.035 . . . . 0.0 109.663 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.475 ' CE2' ' CD1' ' A' ' 20' ' ' ILE . 2.7 m-85 -110.62 66.78 0.63 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.029 -1.044 . . . . 0.0 109.825 -179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.3 40.33 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.0 109.907 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 178.72 155.98 0.59 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.963 -1.085 . . . . 0.0 110.135 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.99 147.49 23.99 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.893 1.729 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.57 137.9 24.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.984 -1.073 . . . . 0.0 109.853 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -101.28 150.98 22.42 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.985 . . . . 0.0 109.208 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.85 141.82 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.14 -0.975 . . . . 0.0 109.875 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -146.93 135.78 22.25 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 109.019 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -48.03 170.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.908 -1.12 . . . . 0.0 110.762 -179.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.15 -170.1 2.94 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.076 -1.015 . . . . 0.0 109.591 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -87.74 -46.9 9.07 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.18 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.7 p -122.31 179.62 4.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 109.818 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.76 -179.31 2.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.091 -1.006 . . . . 0.0 109.208 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.508 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -93.52 156.22 16.87 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.031 -1.043 . . . . 0.0 109.659 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.47 -32.76 23.82 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.011 . . . . 0.0 110.116 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.26 -27.26 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.719 -1.238 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.528 -1.357 . . . . 0.0 109.075 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 110.522 -0.607 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -139.31 -168.19 2.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.011 -1.055 . . . . 0.0 108.68 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -120.79 49.79 1.42 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.805 -1.184 . . . . 0.0 109.268 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -144.78 86.16 1.79 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 108.954 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -68.26 168.39 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.059 -1.025 . . . . 0.0 109.832 -179.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.403 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 46.8 t80 -150.08 138.92 20.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.113 -0.992 . . . . 0.0 109.235 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.8 133.49 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.072 -1.018 . . . . 0.0 109.01 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -129.06 40.06 3.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.154 -0.966 . . . . 0.0 109.561 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -141.81 42.56 1.71 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.059 -1.025 . . . . 0.0 109.168 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.28 -178.38 4.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.158 -0.964 . . . . 0.0 109.502 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -77.49 157.82 30.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.026 -1.046 . . . . 0.0 108.989 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.91 35.4 2.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.16 -0.962 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -150.07 35.87 0.67 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.864 -1.148 . . . . 0.0 109.782 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 15.3 mm -95.61 154.21 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.935 -1.103 . . . . 0.0 110.004 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.07 -179.67 7.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -86.16 -39.99 16.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.893 -1.129 . . . . 0.0 109.168 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.34 -27.43 56.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 108.729 178.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.1 tt0 -72.78 -45.03 60.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.853 -1.155 . . . . 0.0 110.168 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.62 -35.43 78.92 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.875 -1.141 . . . . 0.0 110.276 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -22.43 59.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.872 -1.143 . . . . 0.0 110.649 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -80.0 -31.86 39.69 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.506 -1.371 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -77.11 -38.29 52.52 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.712 -1.242 . . . . 0.0 110.21 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.68 -51.91 17.45 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.85 -1.156 . . . . 0.0 109.636 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' OG ' ' A' ' 34' ' ' SER . 2.3 t-80 -53.29 -28.62 28.94 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.122 -0.986 . . . . 0.0 110.764 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.38 -68.46 0.66 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.697 -1.252 . . . . 0.0 110.087 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.76 -59.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.967 -1.083 . . . . 0.0 112.346 -178.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.88 -40.83 98.74 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.751 -1.218 . . . . 0.0 111.229 -178.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 20.3 p -52.34 -33.67 43.83 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.746 -1.221 . . . . 0.0 110.631 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -54.31 -49.85 68.7 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.686 -1.259 . . . . 0.0 109.793 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -55.47 -59.64 4.53 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 109.766 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.72 -148.35 4.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -98.82 144.05 28.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.071 -1.253 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.45 136.04 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.087 -1.008 . . . . 0.0 109.199 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -76.36 -42.14 45.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.951 -1.093 . . . . 0.0 109.367 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -176.46 152.85 1.1 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.169 -0.957 . . . . 0.0 110.497 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mt -122.96 130.44 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 108.955 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.01 108.0 17.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.005 -1.059 . . . . 0.0 109.924 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.31 143.63 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.06 -1.025 . . . . 0.0 108.951 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -125.26 147.2 49.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.875 -1.141 . . . . 0.0 109.82 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -122.82 36.53 4.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 109.888 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.4 p -93.28 176.11 6.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.874 -1.141 . . . . 0.0 109.045 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -66.22 -56.8 9.54 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.924 -1.11 . . . . 0.0 109.567 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.57 -41.04 89.26 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.035 -1.041 . . . . 0.0 109.369 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.93 60.46 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.95 137.38 40.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 109.52 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.96 39.57 97.2 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -133.28 158.19 43.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.022 -1.281 . . . . 0.0 109.308 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.7 141.06 17.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.988 -1.07 . . . . 0.0 110.478 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 87.0 m-85 -111.12 141.46 44.59 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.068 -1.02 . . . . 0.0 108.945 179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.75 126.09 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.927 -1.108 . . . . 0.0 109.175 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.66 157.61 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.05 -1.031 . . . . 0.0 108.512 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD1' ' CB ' ' A' ' 64' ' ' ALA . 81.5 m-85 -128.09 155.89 43.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.027 -1.046 . . . . 0.0 109.78 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -44.52 -34.64 2.17 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.473 -0.767 . . . . 0.0 111.459 -178.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -151.49 -174.06 4.71 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.766 -1.209 . . . . 0.0 110.22 -179.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -85.07 87.03 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.242 -0.911 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -49.45 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.098 -1.001 . . . . 0.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -63.21 -37.43 87.2 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.976 -1.077 . . . . 0.0 109.31 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' CD1' ' A' ' 58' ' ' PHE . . . -71.6 -37.23 70.99 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.809 -1.182 . . . . 0.0 108.4 178.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -55.66 -37.98 68.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -0.955 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -73.79 -36.06 64.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.966 -1.084 . . . . 0.0 109.523 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.95 -8.41 56.42 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.799 -1.188 . . . . 0.0 111.108 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.29 -37.15 9.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.351 -1.468 . . . . 0.0 110.658 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -83.35 -31.75 26.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.753 -1.217 . . . . 0.0 110.93 -179.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.49 24.77 6.27 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.744 -1.222 . . . . 0.0 111.356 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -147.05 40.59 1.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.546 -1.346 . . . . 0.0 109.661 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.62 102.41 12.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.982 -1.074 . . . . 0.0 109.139 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.26 56.57 2.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.65 163.57 18.25 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.169 -1.195 . . . . 0.0 109.591 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 124.68 6.35 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 122.058 1.839 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.55 107.49 4.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 109.179 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.471 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 95.0 m-85 59.08 44.29 16.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 0.0 109.693 -179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.61 65.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -179.95 142.41 0.35 Allowed Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.919 -1.113 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.72 125.08 6.56 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 121.63 1.553 . . . . 0.0 109.837 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.48 135.43 51.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.963 -1.086 . . . . 0.0 110.138 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -103.86 150.66 23.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.129 -0.982 . . . . 0.0 109.064 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.2 mt -111.16 138.48 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 0.0 110.273 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -149.43 136.59 19.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -0.924 . . . . 0.0 108.855 179.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -48.73 166.43 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.88 -1.137 . . . . 0.0 110.185 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.2 176.3 7.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.003 -1.06 . . . . 0.0 109.52 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -80.23 -49.02 12.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.123 -0.985 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.8 p -106.91 179.72 4.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.125 -0.984 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -89.24 179.53 6.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.053 -1.03 . . . . 0.0 109.234 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -86.43 156.44 20.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.014 -1.054 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -75.99 -29.69 58.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.01 -1.056 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 93' ' ' ILE . 2.0 pp -60.3 -24.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.729 -1.232 . . . . 0.0 109.189 178.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.141 0 O-C-N 120.477 -1.389 . . . . 0.0 107.805 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 N-CA-C 110.443 -0.637 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -103.72 -175.22 2.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.063 -1.023 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.444 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.9 t60 -102.4 36.26 2.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.032 -1.042 . . . . 0.0 109.869 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 60.4 m -167.29 109.03 0.64 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.853 -1.154 . . . . 0.0 109.981 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -77.0 164.67 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.911 -1.118 . . . . 0.0 109.527 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -139.98 148.13 41.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.967 . . . . 0.0 109.111 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -128.55 143.7 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.377 179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -139.01 -176.94 4.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.037 -1.039 . . . . 0.0 109.415 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.94 45.09 15.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.867 -1.145 . . . . 0.0 109.254 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.29 -176.14 4.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.053 -1.029 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -84.11 152.76 24.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.005 -1.059 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.55 49.3 0.98 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 0.0 109.712 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -152.14 37.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.007 -1.058 . . . . 0.0 109.935 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 13.2 mm -91.68 155.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -100.98 27.58 5.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.917 . . . . 0.0 111.333 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 69.1 -82.56 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.467 -0.77 . . . . 0.0 112.032 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.52 -27.06 62.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.358 -1.464 . . . . 0.0 108.806 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.97 -43.5 92.44 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.003 -1.061 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.48 -18.5 65.09 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.869 -1.144 . . . . 0.0 111.315 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -81.69 -35.75 29.49 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.46 -1.4 . . . . 0.0 109.872 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -71.13 -36.42 72.11 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.815 -1.178 . . . . 0.0 109.865 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -74.65 -38.68 62.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.863 -1.148 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.37 -31.01 71.9 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.929 -1.107 . . . . 0.0 110.542 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -70.04 -26.47 64.05 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.749 -1.22 . . . . 0.0 111.149 -179.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -47.22 10.72 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.55 -1.344 . . . . 0.0 110.48 -179.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -60.81 -49.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 120.904 -1.122 . . . . 0.0 110.664 -179.016 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -91.24 23.7 3.22 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.036 -1.04 . . . . 0.0 112.665 -178.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -102.64 -44.99 5.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.34 -1.475 . . . . 0.0 110.225 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -47.05 -32.56 4.12 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.842 -1.161 . . . . 0.0 110.926 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -56.46 -64.18 0.95 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.76 -1.212 . . . . 0.0 109.923 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.54 61.36 0.15 Allowed Glycine 0 N--CA 1.5 2.924 0 C-N-CA 119.466 -1.349 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 61.44 148.83 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.388 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.0 143.45 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.007 -1.058 . . . . 0.0 108.995 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.0 -63.05 1.38 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.78 155.69 42.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.839 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.4 mt -141.94 113.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.406 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.71 167.99 12.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.115 -0.991 . . . . 0.0 109.3 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.65 -178.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.966 -1.084 . . . . 0.0 109.101 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -54.17 175.67 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.898 -1.126 . . . . 0.0 109.533 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.0 OUTLIER 179.29 48.21 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.989 -1.069 . . . . 0.0 110.667 -179.352 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 3.5 p 157.54 175.53 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.836 0 O-C-N 121.445 -0.785 . . . . 0.0 109.336 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.21 -52.16 50.64 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.899 -1.126 . . . . 0.0 109.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -49.12 -36.75 19.74 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.045 -1.034 . . . . 0.0 110.633 -179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mmm -102.41 62.49 0.86 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.898 -1.126 . . . . 0.0 109.655 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 57.79 0.83 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 109.38 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.03 59.69 0.02 OUTLIER Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -175.02 155.3 1.97 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.044 -1.268 . . . . 0.0 110.157 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.4 7.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.037 -1.039 . . . . 0.0 109.872 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -135.53 127.74 30.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.0 109.132 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -122.92 137.21 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.6 126.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.111 -0.993 . . . . 0.0 108.695 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -96.65 159.91 14.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.944 -1.097 . . . . 0.0 109.517 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.98 -40.17 76.03 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.044 -1.035 . . . . 0.0 109.234 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.77 172.12 7.74 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.1 -1.0 . . . . 0.0 109.365 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.3 -35.94 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.109 -0.995 . . . . 0.0 109.855 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.8 p -58.72 -36.61 74.56 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.905 -1.122 . . . . 0.0 110.132 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -37.15 83.06 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.812 -1.18 . . . . 0.0 110.211 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.69 64.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.866 -1.146 . . . . 0.0 109.336 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 m -65.66 -41.08 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.94 -1.1 . . . . 0.0 109.43 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.46 -42.18 92.6 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 108.821 179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.5 -36.32 66.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.062 -1.024 . . . . 0.0 109.756 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.61 -38.24 77.17 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.918 -1.114 . . . . 0.0 109.774 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -92.36 13.23 20.04 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.928 -1.108 . . . . 0.0 111.367 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.64 -51.24 3.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.408 -1.432 . . . . 0.0 109.308 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mtp -110.12 39.99 2.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.045 . . . . 0.0 109.402 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 112.75 1.59 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.27 65.44 3.37 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -127.5 160.1 62.19 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.084 -1.245 . . . . 0.0 109.675 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.19 133.83 12.45 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.865 1.71 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 18.5 t80 -125.1 -60.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 108.996 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 3.0 m-85 -115.76 64.37 0.69 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.02 -1.05 . . . . 0.0 109.094 179.475 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 61.97 44.76 7.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.926 -1.109 . . . . 0.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.34 146.11 0.53 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.082 -1.011 . . . . 0.0 110.021 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.87 148.08 27.9 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.611 1.541 . . . . 0.0 110.093 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -151.27 138.18 19.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 110.421 -179.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 150.89 20.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 108.684 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.3 mt -110.18 136.61 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.531 -179.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -133.03 140.36 47.69 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -51.42 172.92 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.873 -1.142 . . . . 0.0 109.696 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.71 172.12 9.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.001 -1.062 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.92 -43.18 9.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.989 -1.069 . . . . 0.0 109.167 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -109.86 179.37 4.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.96 167.34 11.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.027 -1.046 . . . . 0.0 109.196 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -94.22 165.95 12.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -98.55 -13.49 20.41 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.04 -1.038 . . . . 0.0 111.412 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.5 pt -57.02 -24.31 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.346 -1.471 . . . . 0.0 109.647 178.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 mm . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.571 -1.331 . . . . 0.0 107.6 178.393 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.637 0 N-CA-C 110.491 -0.619 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -142.64 178.35 7.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.084 -1.01 . . . . 0.0 109.301 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.9 OUTLIER -101.57 32.11 3.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.071 . . . . 0.0 110.252 179.875 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 90.4 m -168.36 127.96 1.22 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.942 -1.099 . . . . 0.0 109.876 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.413 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.2 pp -90.18 171.65 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.927 -1.108 . . . . 0.0 108.99 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.411 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 21.5 t80 -147.98 121.47 9.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.995 -1.065 . . . . 0.0 109.652 -178.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -109.8 141.76 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.983 -1.073 . . . . 0.0 109.365 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -138.08 -174.01 3.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.048 -1.032 . . . . 0.0 109.654 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 60.4 43.58 13.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.025 -1.047 . . . . 0.0 109.403 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.52 -179.64 5.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -75.94 153.15 36.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.044 -1.035 . . . . 0.0 109.523 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -101.6 50.31 0.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.0 109.634 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -153.73 39.67 0.49 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.009 -1.057 . . . . 0.0 109.665 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mt -109.31 159.08 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 108.954 -179.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.9 mmmt -112.22 29.83 7.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.001 -1.079 . . . . 0.0 112.721 -178.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 81.05 -67.02 0.12 Allowed 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 118.915 0.779 . . . . 0.0 112.171 178.21 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -56.86 -27.79 60.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.561 -1.337 . . . . 0.0 109.184 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.6 tt0 -65.97 -46.69 77.19 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.127 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.91 -14.73 63.2 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.961 -1.087 . . . . 0.0 111.362 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -89.02 -26.77 21.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.298 -1.501 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -80.39 -31.62 37.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.57 -1.331 . . . . 0.0 109.528 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -87.83 -38.2 15.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.811 -1.18 . . . . 0.0 110.129 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.43 -51.33 15.23 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.894 -1.129 . . . . 0.0 109.393 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.55 -27.89 41.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 110.53 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.17 -69.42 0.58 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.595 -1.316 . . . . 0.0 110.162 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -47.01 -59.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.869 -1.144 . . . . 0.0 112.179 -178.488 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CE2' ' CD1' ' A' ' 32' ' ' ILE . 83.9 m-85 -60.38 -34.21 73.56 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.721 -1.237 . . . . 0.0 111.398 -178.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 30.1 p -62.65 -32.0 72.96 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.648 -1.283 . . . . 0.0 110.767 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -35.47 18.71 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.63 -1.294 . . . . 0.0 110.624 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD1' ' OD1' ' A' ' 66' ' ' ASN . 82.8 m-85 -93.01 63.83 3.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.833 -1.167 . . . . 0.0 109.994 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.11 -139.51 14.44 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -129.85 149.49 51.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.24 . . . . 0.0 109.553 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mt -101.0 119.71 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.06 -43.17 91.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.032 -1.043 . . . . 0.0 109.122 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.75 161.15 0.97 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.283 -0.886 . . . . 0.0 110.276 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.95 129.35 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.26 117.5 34.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.968 -1.082 . . . . 0.0 109.887 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 t -113.51 160.57 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 108.594 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.82 169.53 20.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.914 -1.116 . . . . 0.0 110.149 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -136.39 39.69 2.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 0.0 109.68 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.4 p -89.29 176.28 7.0 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.984 -1.072 . . . . 0.0 108.728 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.0 -57.43 13.1 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.929 -1.107 . . . . 0.0 109.479 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -59.64 -40.63 88.3 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.077 -1.014 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.81 59.16 1.21 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.969 -1.082 . . . . 0.0 109.309 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 54.79 0.82 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.67 60.25 0.06 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 4.3 pt20 -176.86 153.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.055 -1.262 . . . . 0.0 110.091 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.17 10.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.947 -1.096 . . . . 0.0 110.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 32.1 m-85 -126.85 144.02 51.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.104 -0.998 . . . . 0.0 109.186 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.4 t -122.22 143.57 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.05 -1.031 . . . . 0.0 109.692 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.59 147.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.031 -1.043 . . . . 0.0 108.787 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -126.92 146.09 50.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.005 . . . . 0.0 109.731 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -49.84 -39.23 38.28 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.046 -1.034 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -129.32 167.43 17.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.098 -1.002 . . . . 0.0 109.266 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.8 -38.5 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.085 -1.009 . . . . 0.0 109.624 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -61.04 -35.99 78.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.005 -1.059 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -56.8 -36.51 69.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.756 -1.215 . . . . 0.0 110.397 -179.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.92 62.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.142 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -60.16 -38.91 84.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.01 -1.056 . . . . 0.0 109.854 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' OD1' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -73.29 -38.49 65.86 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 109.446 179.83 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.11 -13.27 62.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.903 -1.123 . . . . 0.0 111.398 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -40.37 9.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.351 -1.468 . . . . 0.0 110.289 -179.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.918 -1.114 . . . . 0.0 109.869 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 m -67.15 -37.52 83.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.997 -1.064 . . . . 0.0 109.788 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -105.5 36.39 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.896 -1.127 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -73.39 108.74 6.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.819 -1.175 . . . . 0.0 108.941 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.42 73.8 0.46 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -121.69 162.98 33.73 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.044 -1.268 . . . . 0.0 109.906 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.39 115.5 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.121 1.88 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 130.4 25.31 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.017 -1.052 . . . . 0.0 108.483 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.422 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 10.5 m-85 59.77 38.68 21.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.94 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 54.57 64.59 1.76 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.899 -1.126 . . . . 0.0 110.368 179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tttt 179.12 143.72 0.33 Allowed Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 120.776 -1.202 . . . . 0.0 110.079 179.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.61 117.95 4.42 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.502 1.468 . . . . 0.0 109.787 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -126.46 127.14 44.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.989 -1.07 . . . . 0.0 110.232 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -96.59 149.44 21.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.118 -0.989 . . . . 0.0 108.693 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -107.41 137.49 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.079 -1.013 . . . . 0.0 110.268 -179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.47 141.14 37.4 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.55 177.71 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.803 -1.186 . . . . 0.0 109.867 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.13 -179.64 4.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.971 -1.081 . . . . 0.0 109.54 -179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -52.46 6.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.118 -0.989 . . . . 0.0 108.754 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -117.81 179.8 3.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.119 -0.988 . . . . 0.0 109.22 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 177.38 8.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.04 -1.038 . . . . 0.0 109.097 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 165.51 22.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.948 -1.095 . . . . 0.0 109.179 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -34.37 34.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 -179.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -63.51 -37.18 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.809 -1.182 . . . . 0.0 109.882 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.505 2.312 0 O-C-N 120.817 -1.177 . . . . 0.0 108.446 178.681 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 CA--C 1.537 0.649 0 N-CA-C 110.144 -0.752 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.88 40.4 3.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.077 -1.015 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.7 t60 58.97 23.09 11.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 111.148 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 55.1 m -169.41 143.14 2.79 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.51 -1.369 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 4.4 pt -108.93 164.56 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.915 -1.116 . . . . 0.0 108.915 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' OH ' ' OE1' ' A' ' 53' ' ' GLN . 46.9 t80 -138.28 129.7 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.23 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.76 138.5 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.023 -1.048 . . . . 0.0 109.281 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.11 -172.44 2.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 109.444 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 61.99 43.79 8.75 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.909 -1.119 . . . . 0.0 109.552 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.72 -179.33 4.97 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.007 -1.058 . . . . 0.0 109.324 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -89.36 149.12 23.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 109.029 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.0 44.04 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.0 109.802 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -141.71 30.27 1.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.997 -1.064 . . . . 0.0 110.161 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.09 155.14 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.861 -1.149 . . . . 0.0 108.885 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.88 -171.8 3.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.209 -0.932 . . . . 0.0 109.658 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -37.07 27.89 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.139 -0.976 . . . . 0.0 109.817 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.11 -29.3 69.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.093 -1.004 . . . . 0.0 108.78 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.56 -54.81 7.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 109.414 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -55.4 -25.05 33.48 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.114 . . . . 0.0 111.352 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -82.39 -34.65 28.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.444 -1.41 . . . . 0.0 110.256 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -72.03 -22.72 61.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.722 -1.236 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -43.56 10.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.54 -1.35 . . . . 0.0 110.283 -179.57 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.55 -57.18 4.35 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.024 -1.048 . . . . 0.0 109.648 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -50.51 -29.28 10.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.204 -0.935 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.73 -69.7 0.53 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.689 -1.257 . . . . 0.0 110.207 -179.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.63 -60.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 112.255 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 55.6 m-85 -60.55 -37.56 81.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.685 -1.26 . . . . 0.0 110.732 -178.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -54.39 -35.62 63.05 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.67 -1.269 . . . . 0.0 110.478 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -49.61 -47.73 49.47 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.783 -1.198 . . . . 0.0 110.253 -179.523 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -61.63 -56.69 17.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.989 -1.069 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.55 -164.04 11.88 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.84 150.48 25.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.24 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.4 mt -110.91 116.96 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.8 -45.21 86.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.991 -1.068 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -179.16 151.24 0.49 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.021 -1.05 . . . . 0.0 110.502 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.5 139.1 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.996 -1.065 . . . . 0.0 109.195 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -110.4 133.79 52.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.082 -1.011 . . . . 0.0 109.999 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.97 122.16 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.136 -0.977 . . . . 0.0 108.913 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.1 m -106.68 168.24 9.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.029 -1.044 . . . . 0.0 109.796 -179.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 38.19 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.025 -1.047 . . . . 0.0 109.824 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.9 p -92.59 -173.36 3.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.014 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.59 -51.27 15.02 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.966 -1.083 . . . . 0.0 109.545 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -58.8 -40.81 85.14 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.049 -1.032 . . . . 0.0 109.352 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 ttm -101.37 51.5 0.84 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.988 -1.07 . . . . 0.0 109.413 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.44 50.55 0.94 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.99 -1.069 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.08 57.69 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' OH ' ' A' ' 12' ' ' TYR . 3.1 pt20 -178.29 152.92 0.72 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.123 -1.222 . . . . 0.0 110.105 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.33 150.91 33.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.938 -1.101 . . . . 0.0 109.959 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -104.11 148.2 26.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.013 -1.055 . . . . 0.0 109.164 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.78 125.1 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.904 -1.123 . . . . 0.0 109.15 179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' CD1' ' OG ' ' A' ' 90' ' ' SER . 42.0 mt -98.14 119.94 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.034 -1.041 . . . . 0.0 109.123 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.44 146.82 24.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.99 -1.069 . . . . 0.0 108.824 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -51.02 -38.8 53.59 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.949 -1.094 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -129.13 169.13 15.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.057 -1.027 . . . . 0.0 109.169 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.62 -33.99 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.105 -0.997 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -59.09 -36.21 74.73 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.865 -1.147 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.23 -36.46 80.02 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.843 -1.161 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.74 59.94 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.752 -1.218 . . . . 0.0 109.804 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 3.2 m -66.99 -40.52 87.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.799 -1.188 . . . . 0.0 109.493 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.1 t-20 -72.04 -37.0 69.8 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.011 -1.055 . . . . 0.0 109.76 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.28 64.99 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.895 -1.128 . . . . 0.0 110.623 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -81.89 -56.62 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.534 -1.354 . . . . 0.0 110.206 -179.31 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -65.21 -17.67 64.67 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.07 -1.019 . . . . 0.0 111.469 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 66' ' ' ASN . 16.7 p -90.02 -38.28 13.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.491 -1.381 . . . . 0.0 110.05 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtp -104.88 37.34 2.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.873 -1.142 . . . . 0.0 109.745 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.62 96.3 0.93 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.946 -1.096 . . . . 0.0 109.0 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.47 75.49 0.78 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.92 165.75 16.96 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.025 -1.279 . . . . 0.0 109.751 -179.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.01 114.3 3.36 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 122.063 1.842 . . . . 0.0 110.539 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -145.93 131.17 18.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.013 -1.054 . . . . 0.0 109.076 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.448 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 7.9 m-85 60.6 39.02 18.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 0.0 109.88 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.01 62.25 2.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.944 -1.098 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 176.43 150.01 0.32 Allowed Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 120.788 -1.195 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.6 123.39 6.42 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.551 1.5 . . . . 0.0 109.827 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.84 118.1 23.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.4 -179.416 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -91.42 140.86 29.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.005 . . . . 0.0 108.323 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.88 136.55 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.986 -1.072 . . . . 0.0 110.377 -179.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 134.13 47.43 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -50.87 173.34 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.901 -1.124 . . . . 0.0 109.773 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.15 162.35 13.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.974 -1.079 . . . . 0.0 109.95 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.13 -46.6 16.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.083 -1.011 . . . . 0.0 109.225 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.2 p -106.86 179.97 4.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.186 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.5 179.56 4.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.005 -1.059 . . . . 0.0 109.808 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 t -80.53 147.3 30.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.194 -0.941 . . . . 0.0 109.277 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.93 -23.93 60.75 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.138 -0.976 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 pt -69.12 -40.62 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.564 -1.335 . . . . 0.0 110.003 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 O-C-N 120.765 -1.209 . . . . 0.0 109.807 178.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 CA--C 1.535 0.547 0 N-CA-C 110.526 -0.605 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -91.45 -178.35 5.08 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.34 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.449 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.4 t-80 -112.44 38.63 2.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 110.255 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 34.8 m -167.23 105.75 0.56 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.878 -1.139 . . . . 0.0 110.287 179.248 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -67.4 168.87 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.01 -1.056 . . . . 0.0 108.821 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 52.4 t80 -157.44 142.14 16.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.777 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -130.66 134.99 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.165 -0.959 . . . . 0.0 108.711 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -126.4 41.83 3.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.961 -1.087 . . . . 0.0 109.669 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -144.86 43.29 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.099 -1.0 . . . . 0.0 109.329 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -92.82 178.83 5.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.39 156.38 29.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.102 -0.999 . . . . 0.0 109.117 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.78 38.83 1.46 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 109.96 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.58 36.42 0.57 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.866 -1.146 . . . . 0.0 110.06 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 9.1 mm -96.15 151.68 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.917 -1.115 . . . . 0.0 109.644 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 177.55 8.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -79.15 -40.74 30.16 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.913 -1.117 . . . . 0.0 109.102 179.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.44 -14.32 60.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.175 -0.953 . . . . 0.0 109.429 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 29.7 mt-10 -83.08 -41.98 17.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.609 -1.307 . . . . 0.0 110.027 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.15 -35.64 74.18 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.141 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -77.29 -30.1 54.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.857 -1.152 . . . . 0.0 110.509 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.4 -24.62 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.691 -1.256 . . . . 0.0 110.628 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 23.2 t -87.62 -36.35 17.54 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.515 -1.365 . . . . 0.0 110.471 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.2 -43.51 64.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.822 -1.174 . . . . 0.0 109.432 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . 2.8 t-80 -66.03 -25.81 67.23 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.137 -0.977 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -77.7 -68.33 0.64 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.598 -1.314 . . . . 0.0 110.042 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -56.26 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 111.225 -178.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.19 -43.42 87.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.816 -1.177 . . . . 0.0 110.812 -178.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 29.7 p -53.91 -35.89 62.13 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.869 -1.145 . . . . 0.0 110.586 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -54.75 -47.42 73.87 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.704 -1.248 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CE1' ' CB ' ' A' ' 70' ' ' SER . 92.4 m-85 -58.88 -58.52 8.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.074 -1.016 . . . . 0.0 109.553 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.95 -157.43 7.71 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -92.95 133.89 35.66 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.106 -1.232 . . . . 0.0 109.336 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.7 mt -94.52 138.35 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.037 -1.039 . . . . 0.0 109.412 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tp -87.77 -41.91 12.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.143 -0.973 . . . . 0.0 109.364 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -170.83 147.64 2.77 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.128 -0.982 . . . . 0.0 110.382 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.02 131.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.114 -0.991 . . . . 0.0 109.223 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 mp -105.86 131.62 52.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.919 -1.113 . . . . 0.0 109.877 -179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.0 123.88 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.165 -0.96 . . . . 0.0 109.279 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 t -125.71 160.51 29.56 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.781 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -127.83 36.06 4.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -87.14 174.82 8.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.848 -1.157 . . . . 0.0 109.093 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.58 -40.12 84.83 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.996 -1.065 . . . . 0.0 109.741 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.15 -39.4 71.97 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.033 -1.042 . . . . 0.0 109.797 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.8 mmm -112.1 61.89 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.422 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.95 38.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.936 -1.103 . . . . 0.0 109.479 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.41 38.34 95.58 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 3.5 pt20 -156.91 151.09 25.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.003 -1.292 . . . . 0.0 109.799 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.27 152.01 38.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 34.4 m-85 -111.52 143.04 43.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.12 -0.987 . . . . 0.0 109.191 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.0 127.84 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.895 -1.128 . . . . 0.0 108.867 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.6 mt -114.99 157.61 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.145 -0.972 . . . . 0.0 108.764 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -130.9 149.67 52.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.005 -1.06 . . . . 0.0 109.219 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -49.45 -61.79 1.9 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 120.948 -1.095 . . . . 0.0 108.756 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.41 158.74 15.3 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 177.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 p -90.27 19.69 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.782 -1.199 . . . . 0.0 112.539 -178.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.38 -38.36 11.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.478 -1.389 . . . . 0.0 109.261 178.764 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -62.55 -32.94 73.98 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.902 -1.123 . . . . 0.0 110.176 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.79 72.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.763 -1.211 . . . . 0.0 108.654 179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.4 m -64.91 -39.87 94.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.019 . . . . 0.0 109.713 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -67.83 -34.3 76.47 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.965 -1.084 . . . . 0.0 110.127 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.775 -1.203 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -53.82 8.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.694 -1.254 . . . . 0.0 110.175 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -5.18 48.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.978 -1.076 . . . . 0.0 111.868 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.413 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 44.1 m -94.43 -39.98 10.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.289 -1.507 . . . . 0.0 109.852 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmm -109.48 38.8 2.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.957 -1.089 . . . . 0.0 109.757 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.77 103.18 0.19 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.159 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.35 64.6 2.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.6 161.03 41.7 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.067 -1.255 . . . . 0.0 109.596 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.12 135.84 14.08 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.825 1.683 . . . . 0.0 110.791 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 6.7 t80 -122.51 -59.4 1.63 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 108.648 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 6.6 m-85 -125.38 67.94 1.14 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.086 -1.009 . . . . 0.0 108.834 179.071 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.74 42.4 8.13 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 109.564 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 150.4 1.39 Allowed Pre-proline 0 N--CA 1.499 2.022 0 O-C-N 121.016 -1.052 . . . . 0.0 110.067 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.32 147.66 23.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.813 1.675 . . . . 0.0 110.341 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.39 138.0 20.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.014 -1.053 . . . . 0.0 109.966 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 148.84 23.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.047 -1.033 . . . . 0.0 109.168 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -110.26 138.58 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.118 -0.989 . . . . 0.0 110.113 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -143.42 139.11 29.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -0.954 . . . . 0.0 108.747 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -50.94 175.3 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.917 -1.114 . . . . 0.0 109.843 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.01 162.29 13.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.016 -1.053 . . . . 0.0 109.389 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -63.27 -50.15 71.28 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.7 p -113.42 179.53 3.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 0.0 109.419 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.07 -178.43 6.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.027 -1.046 . . . . 0.0 109.279 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.6 p -95.79 158.37 15.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.094 -1.004 . . . . 0.0 109.783 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.38 19.86 10.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.854 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 pt -101.34 -36.72 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.479 -1.388 . . . . 0.0 110.465 -179.695 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.899 0 O-C-N 120.555 -1.341 . . . . 0.0 109.145 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 110.282 -0.699 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -123.15 173.43 7.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.488 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' N ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -83.85 -41.84 17.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.108 -0.995 . . . . 0.0 109.079 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -96.54 148.92 22.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.144 -0.972 . . . . 0.0 109.271 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 4.1 pt -116.26 145.77 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.994 -1.066 . . . . 0.0 109.222 179.347 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -113.0 119.09 36.72 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.409 -0.807 . . . . 0.0 109.262 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -98.8 147.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.048 -1.033 . . . . 0.0 109.046 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -139.35 -179.97 6.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.006 -1.059 . . . . 0.0 109.648 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 59.19 41.47 20.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.983 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -95.41 179.59 5.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.067 -1.021 . . . . 0.0 109.473 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -72.03 151.45 43.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.031 -1.043 . . . . 0.0 109.052 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.01 34.7 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.148 -0.97 . . . . 0.0 110.374 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -148.0 33.27 0.83 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.779 -1.201 . . . . 0.0 110.281 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.429 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 10.9 mm -99.24 154.13 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.846 -1.159 . . . . 0.0 109.91 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -85.47 -177.61 6.49 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -86.62 -40.09 15.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.889 -1.132 . . . . 0.0 109.133 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.12 -29.6 57.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 108.456 178.236 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.5 tt0 -70.21 -46.44 64.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.877 -1.139 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.5 -31.61 71.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.908 -1.12 . . . . 0.0 110.455 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -73.82 -24.43 59.8 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.219 . . . . 0.0 110.597 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -78.73 -36.88 42.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.1 p -69.83 -38.56 76.58 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.881 -1.137 . . . . 0.0 109.972 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.86 -1.15 . . . . 0.0 110.067 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -68.32 -18.48 64.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.865 -1.147 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.71 -51.94 4.86 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.434 -1.416 . . . . 0.0 110.147 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.94 -55.24 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.98 -1.075 . . . . 0.0 110.731 -179.078 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 64.2 m-85 -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.899 -1.126 . . . . 0.0 110.703 -178.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -61.64 -33.51 74.06 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.84 -1.163 . . . . 0.0 110.367 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -49.7 -38.3 32.55 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.639 -1.288 . . . . 0.0 110.262 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -74.92 -52.21 11.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.927 -1.108 . . . . 0.0 109.383 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 -163.88 11.21 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -89.34 146.43 24.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.994 -1.298 . . . . 0.0 109.38 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -108.99 117.15 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.011 -1.056 . . . . 0.0 109.564 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.9 -40.31 92.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.631 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.83 146.04 0.24 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.976 -1.078 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -110.91 125.86 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.034 -1.041 . . . . 0.0 109.473 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.55 131.05 45.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.02 -1.05 . . . . 0.0 109.6 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.77 131.69 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.035 . . . . 0.0 109.327 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -110.06 146.99 34.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.91 -1.119 . . . . 0.0 109.619 -179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.74 38.31 4.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 109.85 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -107.22 163.2 13.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.946 -1.096 . . . . 0.0 109.283 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.83 -41.98 88.19 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.994 -1.066 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.43 -40.77 95.64 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.052 -1.03 . . . . 0.0 109.549 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -109.67 60.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.387 -179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.44 143.4 35.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.23 38.84 88.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' OE1' ' CE2' ' A' ' 55' ' ' PHE . 4.9 pp0? -155.07 164.51 38.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.988 -1.301 . . . . 0.0 109.921 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.11 11.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.953 -1.092 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CE2' ' OE1' ' A' ' 53' ' ' GLN . 74.4 m-85 -138.84 135.9 35.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.051 -1.031 . . . . 0.0 109.096 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -126.62 126.17 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.888 -1.133 . . . . 0.0 109.991 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mt -99.43 118.22 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.077 -1.014 . . . . 0.0 108.942 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.28 143.57 28.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.072 -1.018 . . . . 0.0 109.366 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -55.23 -40.81 71.29 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.993 -1.067 . . . . 0.0 109.407 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.19 150.92 44.65 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.158 -0.964 . . . . 0.0 109.319 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' N ' ' NE2' ' A' ' 9' ' ' HIS . 10.1 p -62.16 -32.27 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.997 -1.064 . . . . 0.0 109.995 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.8 m -62.98 -35.19 79.35 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.784 -1.197 . . . . 0.0 109.913 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -58.73 -33.73 70.56 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.774 -1.204 . . . . 0.0 110.21 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.21 -29.24 48.23 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.709 -1.245 . . . . 0.0 109.747 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 32.5 m -63.86 -39.66 94.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.866 -1.146 . . . . 0.0 109.859 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -39.22 52.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.964 -1.085 . . . . 0.0 109.761 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.77 64.33 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.926 -1.109 . . . . 0.0 110.975 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -37.03 12.23 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.484 -1.385 . . . . 0.0 110.186 -179.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -68.67 -35.63 77.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.831 -1.168 . . . . 0.0 110.205 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 t -85.39 -27.58 25.72 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.9 -1.125 . . . . 0.0 110.852 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mtp -101.81 35.61 2.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.59 -1.319 . . . . 0.0 110.07 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -76.82 92.7 3.63 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.937 -1.102 . . . . 0.0 108.999 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 73.11 1.21 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.33 161.01 39.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.278 . . . . 0.0 109.625 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.24 134.3 12.72 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.977 1.784 . . . . 0.0 110.336 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -147.03 119.22 8.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.3 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 67.0 m-85 71.08 -84.08 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 O-C-N 122.163 -0.336 . . . . 0.0 110.675 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.52 44.37 0.53 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.507 -1.371 . . . . 0.0 110.459 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.64 152.16 0.56 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 120.902 -1.123 . . . . 0.0 110.151 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -76.94 147.17 26.67 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.792 1.661 . . . . 0.0 110.045 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -148.24 129.36 14.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.282 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.24 139.04 31.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.0 108.488 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.61 136.85 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.042 . . . . 0.0 110.255 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 135.67 53.93 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -50.61 157.6 0.74 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.865 -1.147 . . . . 0.0 109.721 -179.433 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 162.46 28.07 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 0.0 109.534 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -77.24 -41.52 40.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.035 -1.04 . . . . 0.0 109.419 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -119.43 177.88 4.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.021 -1.05 . . . . 0.0 109.888 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -88.21 -174.81 4.8 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.139 -0.976 . . . . 0.0 109.471 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.72 154.24 20.09 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.997 -1.065 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -33.12 58.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 109.766 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -56.46 -26.11 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.859 -1.15 . . . . 0.0 109.512 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 O-C-N 120.43 -1.419 . . . . 0.0 107.21 177.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.536 0.581 0 N-CA-C 110.164 -0.745 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -119.85 -74.04 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t60 172.41 -46.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.287 -0.883 . . . . 0.0 108.677 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.6 m -111.32 158.76 18.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.008 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.8 pt -117.64 159.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -139.18 107.12 5.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.908 . . . . 0.0 109.556 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.19 150.04 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.032 -1.042 . . . . 0.0 108.727 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -140.61 159.32 42.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.96 -1.087 . . . . 0.0 109.509 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 68.78 46.46 0.91 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.906 -1.121 . . . . 0.0 109.112 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.52 -179.52 5.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.195 -0.941 . . . . 0.0 109.266 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -79.73 149.76 31.05 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.123 -0.986 . . . . 0.0 109.271 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -101.14 34.55 2.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.105 -0.997 . . . . 0.0 110.279 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -138.34 29.34 2.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.735 -1.228 . . . . 0.0 109.933 179.298 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.472 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 10.3 mm -99.31 152.42 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.879 -1.138 . . . . 0.0 109.883 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -86.99 -176.94 5.92 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.067 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -86.98 -39.94 15.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.846 -1.159 . . . . 0.0 109.188 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.16 -24.32 57.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 108.938 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 10.1 tt0 -78.17 -45.83 22.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.801 -1.187 . . . . 0.0 110.003 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.21 -28.32 67.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.997 -1.065 . . . . 0.0 110.815 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -80.1 -30.86 39.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.668 -1.27 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -22.94 49.81 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.627 -1.296 . . . . 0.0 110.424 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -86.24 -39.41 16.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.629 -1.294 . . . . 0.0 109.992 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.49 -42.46 71.33 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.945 -1.097 . . . . 0.0 109.545 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' A' ' 34' ' ' SER . 6.2 t-80 -62.54 -28.69 70.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.176 -0.952 . . . . 0.0 110.466 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -78.87 -69.73 0.55 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.622 -1.299 . . . . 0.0 109.783 -179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -46.51 -59.24 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.073 -1.017 . . . . 0.0 112.051 -178.687 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.28 -32.17 72.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.657 -1.277 . . . . 0.0 111.463 -178.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 31.8 p -66.37 -27.68 68.05 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.717 -1.239 . . . . 0.0 111.8 -178.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 1.9 ptm180 -49.47 -31.58 10.28 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.493 -1.38 . . . . 0.0 110.992 -179.079 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.26 -55.56 6.26 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.711 -1.243 . . . . 0.0 109.375 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.84 -141.45 3.23 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -98.5 142.78 29.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.96 -1.318 . . . . 0.0 109.378 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.76 117.12 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.051 -1.031 . . . . 0.0 109.533 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.96 -66.9 0.3 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.96 -1.087 . . . . 0.0 109.674 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -159.51 141.95 13.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.148 -0.97 . . . . 0.0 110.068 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.9 mt -113.18 142.62 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.028 -1.045 . . . . 0.0 109.456 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.32 138.24 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.03 -1.044 . . . . 0.0 109.682 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.64 121.7 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.266 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -136.2 142.28 44.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.011 -1.055 . . . . 0.0 109.203 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 47' ' ' SER . 25.4 mtt180 -87.35 -76.22 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 6.3 p 48.75 -177.48 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.884 -1.135 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.39 -40.28 18.02 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.409 -1.432 . . . . 0.0 109.963 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -74.75 -37.89 62.38 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.999 -1.063 . . . . 0.0 110.255 -179.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mtp -95.92 52.3 1.31 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.917 -1.114 . . . . 0.0 109.752 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 49.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.958 -1.089 . . . . 0.0 109.435 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.94 57.66 0.01 OUTLIER Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -176.59 172.6 2.14 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.152 -1.205 . . . . 0.0 110.36 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.2 176.2 12.79 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.754 -1.216 . . . . 0.0 110.392 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.68 145.52 48.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.007 -1.058 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 58' ' ' PHE . 38.7 t -142.53 121.42 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.819 -1.176 . . . . 0.0 109.652 179.353 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.76 126.29 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 120.806 -1.184 . . . . 0.0 108.427 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 56' ' ' VAL . 49.9 m-85 -107.73 152.1 24.8 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.124 -0.985 . . . . 0.0 109.337 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -49.77 110.25 0.37 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.274 -0.891 . . . . 0.0 109.234 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 71.72 -173.16 0.16 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.282 -0.886 . . . . 0.0 109.079 -178.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.93 -32.53 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.976 -1.077 . . . . 0.0 110.862 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 p -58.88 -38.13 78.13 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.833 -1.167 . . . . 0.0 110.377 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -59.83 -35.9 75.69 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.847 -1.158 . . . . 0.0 110.43 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.92 62.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.757 -1.214 . . . . 0.0 109.499 179.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -62.57 -40.35 96.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 109.361 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -39.37 72.37 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.08 -18.91 65.65 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.949 -1.094 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.39 -55.73 3.76 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.45 -1.406 . . . . 0.0 110.025 -179.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -53.85 -36.58 62.73 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.003 -1.061 . . . . 0.0 110.426 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -77.09 -33.87 56.94 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.876 -1.14 . . . . 0.0 110.295 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.7 mtp -102.3 35.26 2.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.187 . . . . 0.0 110.113 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -73.06 109.84 6.89 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.889 -1.132 . . . . 0.0 108.94 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.83 65.55 3.16 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 -179.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.22 152.56 39.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.144 -1.209 . . . . 0.0 109.683 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -81.05 105.78 1.69 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 121.895 1.73 . . . . 0.0 110.345 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.12 124.56 50.67 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.005 -1.059 . . . . 0.0 108.562 179.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.472 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 77.9 m-85 57.15 38.07 28.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.029 . . . . 0.0 109.731 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 61.25 63.47 1.22 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.917 -1.114 . . . . 0.0 110.355 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.86 142.81 1.6 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.797 -1.19 . . . . 0.0 110.0 179.434 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.54 111.43 3.01 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.409 1.406 . . . . 0.0 109.614 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -125.74 139.33 53.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.003 -1.06 . . . . 0.0 110.536 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mtm105 -119.0 147.05 44.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 108.66 179.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.45 140.76 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.0 -1.062 . . . . 0.0 110.278 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -131.25 134.58 46.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -49.91 122.08 6.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.933 -179.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 166.27 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.187 -0.945 . . . . 0.0 110.449 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.44 -52.91 22.3 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.993 -1.067 . . . . 0.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 p -105.17 179.55 4.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.078 -1.014 . . . . 0.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -86.82 -174.09 4.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.041 -1.037 . . . . 0.0 109.182 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.33 160.04 15.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -95.94 19.11 12.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.6 pt -97.41 -43.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.464 -1.398 . . . . 0.0 109.293 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.213 0 O-C-N 121.03 -1.044 . . . . 0.0 109.75 179.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.673 0 N-CA-C 110.482 -0.622 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -118.31 -65.84 1.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.49 -43.85 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -113.6 116.98 30.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.38 -0.825 . . . . 0.0 109.424 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.75 177.1 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.434 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 47.2 t80 -146.79 154.39 41.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.055 -1.028 . . . . 0.0 109.357 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.09 138.22 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.181 -0.95 . . . . 0.0 109.152 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -139.86 -175.88 4.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 109.485 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 61.38 40.87 13.63 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 109.501 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -92.75 178.03 5.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 109.332 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -85.39 155.05 21.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.977 -1.077 . . . . 0.0 109.428 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -94.06 58.41 2.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 109.545 -179.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -150.89 36.32 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.967 -1.083 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 14.1 mm -93.37 155.62 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.961 -1.087 . . . . 0.0 109.625 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -105.78 27.87 8.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.18 -0.95 . . . . 0.0 111.202 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 72.69 -80.47 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 121.467 -0.771 . . . . 0.0 111.603 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.61 -26.71 63.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.391 -1.443 . . . . 0.0 108.673 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 19.4 tt0 -64.96 -42.85 94.23 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.968 -1.083 . . . . 0.0 109.838 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.49 -28.75 68.11 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.837 -1.164 . . . . 0.0 111.152 -179.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -79.02 -23.5 44.29 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.67 -1.269 . . . . 0.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.4 -31.49 33.2 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.544 -1.348 . . . . 0.0 109.917 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 m -79.18 -38.84 34.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.771 -1.206 . . . . 0.0 110.087 -179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.69 -51.68 18.34 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.91 -1.119 . . . . 0.0 109.502 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -54.42 -27.65 38.46 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.133 -0.98 . . . . 0.0 110.682 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.56 -70.38 0.53 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.66 -1.275 . . . . 0.0 110.278 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -58.39 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.955 -1.091 . . . . 0.0 112.567 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -58.87 -36.02 73.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.746 -1.221 . . . . 0.0 111.253 -178.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.8 t -61.59 -34.53 75.77 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.767 -1.208 . . . . 0.0 110.551 -179.199 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -45.64 -32.38 2.35 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.917 -1.114 . . . . 0.0 111.881 -178.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 m-85 -96.34 -39.62 9.53 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.749 -1.219 . . . . 0.0 110.784 -178.289 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 -172.57 16.46 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.424 -1.37 . . . . 0.0 110.04 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -92.22 140.7 29.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.127 -1.22 . . . . 0.0 109.203 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.24 134.79 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.004 -1.06 . . . . 0.0 109.295 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.67 -40.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.979 -1.075 . . . . 0.0 109.608 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.85 156.65 1.1 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.105 -0.997 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.7 mt -122.86 141.73 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 109.192 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.9 130.27 55.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.998 -1.064 . . . . 0.0 109.83 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.66 121.4 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.27 -178.6 3.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.981 -1.074 . . . . 0.0 109.652 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -142.82 36.17 1.42 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 0.0 110.14 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 p -95.31 177.04 5.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.84 -1.163 . . . . 0.0 108.954 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.41 -40.84 92.43 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.923 -1.11 . . . . 0.0 110.124 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -74.52 -38.91 62.68 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.927 -1.108 . . . . 0.0 109.863 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 58.48 2.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.28 120.09 41.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.987 -1.071 . . . . 0.0 109.391 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.91 44.04 47.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -162.03 141.01 9.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.265 . . . . 0.0 110.071 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.87 -175.75 4.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.934 -1.104 . . . . 0.0 110.063 -179.755 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 36.7 m-85 -140.27 152.47 45.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.963 -1.086 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 t -134.84 133.34 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.999 -1.063 . . . . 0.0 109.197 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.92 143.84 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.028 -1.045 . . . . 0.0 109.117 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.451 ' CD1' ' CB ' ' A' ' 64' ' ' ALA . 92.5 m-85 -127.56 140.94 51.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.991 -1.068 . . . . 0.0 109.814 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.49 112.2 0.95 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.11 -0.993 . . . . 0.0 110.036 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.72 144.04 0.05 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.221 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.69 97.78 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 108.836 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 -50.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -37.56 82.29 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.167 -0.958 . . . . 0.0 108.762 179.002 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 58' ' ' PHE . . . -72.97 -29.5 63.11 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.868 -1.145 . . . . 0.0 109.291 178.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -58.53 -42.54 88.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.968 -1.083 . . . . 0.0 109.69 -179.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.5 -41.87 62.53 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.057 -1.027 . . . . 0.0 109.718 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.16 -27.09 43.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.52 -53.45 4.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.57 -1.331 . . . . 0.0 110.261 -179.082 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -49.68 -30.24 8.8 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.907 -1.121 . . . . 0.0 111.266 -179.3 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -30.51 14.97 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.772 -1.205 . . . . 0.0 110.943 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 mtp -100.89 33.7 2.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.675 -1.265 . . . . 0.0 110.463 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.58 97.68 0.62 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.846 -1.159 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.03 73.64 0.9 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.45 170.36 6.24 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.27 . . . . 0.0 109.818 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.51 146.0 21.31 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 121.935 1.757 . . . . 0.0 110.604 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -165.51 117.48 1.12 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.075 -1.016 . . . . 0.0 109.625 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.415 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 65.8 m-85 58.9 41.36 21.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.077 -1.015 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.7 t70 57.66 63.05 1.92 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.064 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -179.87 142.91 0.36 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.0 110.252 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.52 134.29 12.33 Favored 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.656 1.57 . . . . 0.0 109.875 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -143.39 130.11 20.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.022 -1.049 . . . . 0.0 110.309 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 148.08 22.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.118 -0.989 . . . . 0.0 108.586 179.244 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.4 135.29 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.098 -1.001 . . . . 0.0 110.519 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -134.1 140.63 46.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -52.13 176.46 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.791 -1.193 . . . . 0.0 109.76 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.66 178.78 7.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.041 -1.037 . . . . 0.0 109.326 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -84.43 -49.3 8.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.021 -1.049 . . . . 0.0 109.184 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 p -114.81 179.52 3.93 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.112 -0.993 . . . . 0.0 109.358 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -179.79 4.69 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.041 -1.037 . . . . 0.0 109.187 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -89.76 155.83 18.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 109.36 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -32.93 22.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.043 -1.036 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pp -56.94 -24.5 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.711 -1.243 . . . . 0.0 109.657 178.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.499 1.976 0 O-C-N 120.425 -1.422 . . . . 0.0 107.364 177.886 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 110.589 -0.581 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -147.39 170.75 16.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.631 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -94.0 -40.22 10.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.103 -0.998 . . . . 0.0 109.733 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -99.84 124.79 45.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.018 -1.051 . . . . 0.0 109.434 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 pt -88.1 164.43 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.971 -1.08 . . . . 0.0 109.23 179.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -131.99 133.88 44.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 -179.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.29 147.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.171 179.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -140.34 -175.14 4.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.968 -1.083 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.3 t30 61.6 43.49 9.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.32 -179.84 4.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.097 -1.002 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.22 152.13 29.29 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.061 -1.024 . . . . 0.0 109.336 179.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.39 41.12 1.35 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.0 109.506 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -153.07 38.07 0.5 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.958 -1.088 . . . . 0.0 109.917 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -111.59 156.78 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.058 -1.026 . . . . 0.0 109.775 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -90.98 -178.93 5.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.156 179.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -82.48 -35.86 27.04 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.052 . . . . 0.0 109.908 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.08 -12.37 60.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.986 -1.071 . . . . 0.0 109.915 179.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -93.67 -44.38 8.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.611 -1.306 . . . . 0.0 110.083 -179.74 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.2 tp -71.18 -32.44 68.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.001 -1.062 . . . . 0.0 110.527 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -77.65 -27.36 50.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.757 -1.214 . . . . 0.0 110.261 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -31.0 57.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.524 -1.36 . . . . 0.0 110.135 179.766 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -36.9 30.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.742 -1.224 . . . . 0.0 110.443 -179.436 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 89.1 mt -69.91 -42.72 72.98 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.798 -1.189 . . . . 0.0 109.571 -179.651 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.424 ' O ' ' OG ' ' A' ' 34' ' ' SER . 11.4 t-80 -66.79 -27.6 67.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.206 -0.934 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.76 -66.97 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.698 -1.251 . . . . 0.0 110.053 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -56.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 0.0 111.306 -178.635 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.33 -37.39 77.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.827 -1.171 . . . . 0.0 110.999 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 28.5 p -61.2 -33.72 73.92 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.803 -1.185 . . . . 0.0 110.8 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -50.78 -37.36 41.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.656 -1.278 . . . . 0.0 110.404 -179.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.1 -55.03 11.97 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.93 -1.106 . . . . 0.0 109.707 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.11 -128.28 1.94 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -123.42 139.08 54.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.119 -1.224 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -105.77 129.58 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.998 -1.064 . . . . 0.0 109.513 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -75.7 -39.92 56.6 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.101 -1.0 . . . . 0.0 109.569 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.34 162.62 2.94 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.118 -0.989 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mt -132.92 132.62 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.055 -1.028 . . . . 0.0 109.465 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.43 115.22 30.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.046 -1.034 . . . . 0.0 109.382 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.8 159.87 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.12 -0.988 . . . . 0.0 109.036 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 152.35 50.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.002 -1.061 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -148.93 35.19 0.75 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.03 -1.044 . . . . 0.0 110.031 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p -111.3 172.11 7.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 108.863 179.659 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.15 -57.73 11.27 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.832 -1.167 . . . . 0.0 109.602 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -55.95 -41.49 74.76 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.968 -1.082 . . . . 0.0 109.562 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 mtt -105.84 59.93 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 130.33 53.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 39.65 49.09 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.71 146.51 25.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.045 -1.268 . . . . 0.0 109.783 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.68 172.87 12.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.08 -1.012 . . . . 0.0 109.886 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -133.59 138.75 46.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.066 -1.021 . . . . 0.0 108.933 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.02 138.96 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.874 -1.141 . . . . 0.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.93 123.17 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.94 -1.1 . . . . 0.0 108.959 179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.435 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 3.9 m-85 -100.58 153.85 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.03 . . . . 0.0 109.46 -179.765 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -61.3 -41.06 96.34 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 109.113 179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -124.75 152.82 43.32 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.41 -34.49 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.143 -0.973 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -57.99 -36.17 72.26 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.838 -1.164 . . . . 0.0 110.38 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -63.55 -36.96 85.52 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.749 -1.22 . . . . 0.0 110.218 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.59 -22.91 58.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.914 -1.117 . . . . 0.0 110.048 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 21.7 m -71.43 -42.3 68.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.78 -1.2 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -67.35 -42.26 83.8 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.109 -0.995 . . . . 0.0 109.084 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.39 72.31 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.076 -1.015 . . . . 0.0 109.798 179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -66.48 -45.54 79.29 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.816 -1.177 . . . . 0.0 109.518 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 8.92 25.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.062 -1.024 . . . . 0.0 111.745 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t -99.16 -43.68 6.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.377 -1.452 . . . . 0.0 109.802 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -107.1 37.89 2.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.003 -1.061 . . . . 0.0 109.815 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.44 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.887 -1.133 . . . . 0.0 109.172 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.05 64.5 3.23 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.39 167.83 11.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.025 -1.28 . . . . 0.0 109.788 -179.4 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 132.37 11.53 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 121.847 1.698 . . . . 0.0 110.425 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 19.0 t80 -127.3 -60.8 1.18 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.991 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.9 m-85 -124.53 68.94 1.09 Allowed 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.078 -1.014 . . . . 0.0 109.066 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.44 41.7 18.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.001 -1.062 . . . . 0.0 109.433 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -177.65 154.15 1.01 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.083 -1.011 . . . . 0.0 109.887 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.81 149.9 26.71 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 C-N-CA 121.703 1.602 . . . . 0.0 110.007 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.6 139.15 18.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.936 -1.102 . . . . 0.0 110.397 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.92 143.24 34.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 108.541 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.33 137.39 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.993 -1.067 . . . . 0.0 110.465 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.72 134.38 47.59 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -50.06 157.24 0.66 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.901 -1.124 . . . . 0.0 109.851 -179.389 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.91 169.03 18.07 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.522 -179.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -90.67 -40.85 11.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.189 -0.945 . . . . 0.0 109.235 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.6 p -106.97 178.97 4.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.313 179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -109.75 170.69 7.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.957 -1.089 . . . . 0.0 109.498 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -99.46 161.11 13.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.01 . . . . 0.0 109.402 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.27 0.56 34.53 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.075 -1.016 . . . . 0.0 111.06 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 pp -63.76 -30.16 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.49 -1.381 . . . . 0.0 107.641 177.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 N--CA 1.502 2.156 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 O4'-C1'-N19 110.919 2.719 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.916 0 O4'-C1'-N19 111.022 2.822 . 0.508 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.039 2.839 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.524 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.081 0 O4'-C1'-N19 111.196 2.996 . 0.119 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.437 " O4'" " O2'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.16 0 O4'-C1'-N19 111.392 3.192 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C3'-C2'-C1' 104.095 2.884 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.537 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C3'-C2'-C1' 104.485 3.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.537 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.241 0 O4'-C1'-N19 111.518 3.318 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 O4'-C1'-N19 110.915 2.715 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.506 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.924 2.724 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.506 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 111.109 2.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.175 2.972 . 0.283 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.992 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 110.85 2.65 . 0.839 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.014 2.814 . 0.609 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.412 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.181 2.981 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.412 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.033 0 O4'-C1'-N19 111.17 2.97 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.129 2.929 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.489 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.833 0 O4'-C1'-N19 110.911 2.711 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.489 ' C2 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.307 3.107 . 0.287 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.816 0 O4'-C1'-N19 110.914 2.714 . 0.01 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 C5'-C4'-C3' 111.536 -2.642 . 0.227 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.928 0 O4'-C1'-N19 110.825 2.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C5 ' ' CD2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.435 1.766 0 O4'-C1'-N19 110.981 2.781 . 0.207 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.014 2.814 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.139 2.939 . 0.354 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.992 0 O4'-C1'-N19 111.517 3.317 . 0.463 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.524 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.931 0 O4'-C1'-N19 111.001 2.801 . 0.077 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.12 2.92 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C5'-C4'-C3' 111.631 -2.579 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.74 80.53 61.2 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.083 -1.011 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.3 126.68 7.81 Favored 'Trans proline' 0 C--N 1.322 -0.828 0 C-N-CA 121.849 1.699 . . . . 0.0 110.43 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -54.96 -38.52 67.88 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.009 -1.057 . . . . 0.0 109.772 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.09 104.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.455 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 150.66 66.95 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.5 145.4 20.87 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.772 1.648 . . . . 0.0 110.463 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -150.52 -177.6 6.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 -43.13 11.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.057 -1.027 . . . . 0.0 109.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 m -105.86 142.03 36.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.097 -1.002 . . . . 0.0 108.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 1.5 pt -106.55 146.8 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.013 -1.054 . . . . 0.0 109.195 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -110.83 123.19 49.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.363 -0.835 . . . . 0.0 109.111 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.87 135.69 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 108.995 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -130.4 -175.23 3.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.951 -1.093 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 63.88 41.57 6.62 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.989 -1.07 . . . . 0.0 109.529 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.6 mt -100.19 -175.18 2.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.066 -1.021 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.46 154.04 35.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.982 -1.074 . . . . 0.0 109.218 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -101.47 37.68 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.954 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -149.51 34.94 0.71 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.902 -1.124 . . . . 0.0 110.108 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 10.6 mm -98.81 150.75 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.837 -1.164 . . . . 0.0 109.86 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -84.24 -178.55 6.97 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -85.04 -38.5 19.1 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.915 -1.116 . . . . 0.0 109.518 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -22.81 52.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.129 -0.982 . . . . 0.0 109.256 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.5 mt-10 -80.08 -42.8 22.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.761 -1.212 . . . . 0.0 110.251 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.25 -36.4 74.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.147 . . . . 0.0 110.171 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.87 -30.69 64.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.853 -1.154 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -71.58 -33.35 68.97 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.753 -1.217 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 68.6 m -75.33 -38.84 59.98 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.735 -1.228 . . . . 0.0 110.007 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.49 -34.74 78.6 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.853 -1.154 . . . . 0.0 110.166 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' O ' ' OG ' ' A' ' 34' ' ' SER . 13.1 t-80 -76.18 -19.26 58.6 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.918 -1.114 . . . . 0.0 111.297 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.62 -39.41 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.441 -1.412 . . . . 0.0 110.297 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -54.93 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 120.903 -1.123 . . . . 0.0 110.617 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 51.1 m-85 -59.78 -36.26 76.34 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.921 -1.112 . . . . 0.0 110.272 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 82.9 p -61.5 -36.44 80.49 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.771 -1.206 . . . . 0.0 109.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -49.56 -38.56 31.62 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.762 -1.211 . . . . 0.0 110.154 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -71.93 -54.02 11.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.982 -1.074 . . . . 0.0 109.304 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.94 -162.36 10.43 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -91.11 135.63 33.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.002 -1.293 . . . . 0.0 109.338 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.99 147.21 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.011 -1.056 . . . . 0.0 109.709 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.0 mt -87.66 -53.87 4.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.088 -1.007 . . . . 0.0 109.31 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.57 166.08 29.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.0 mt -136.13 131.27 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.102 -0.999 . . . . 0.0 108.897 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.48 141.3 48.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.973 -1.079 . . . . 0.0 109.871 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.54 132.25 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.065 -1.022 . . . . 0.0 109.04 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -117.48 149.48 40.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 109.877 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -117.81 39.9 3.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.034 . . . . 0.0 109.742 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 178.36 6.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.983 -1.073 . . . . 0.0 109.078 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.88 -56.83 15.92 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.845 -1.159 . . . . 0.0 109.413 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -59.08 -40.2 84.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.05 -1.032 . . . . 0.0 109.299 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.1 56.65 2.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.045 -1.035 . . . . 0.0 109.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 47.56 0.9 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.873 -1.142 . . . . 0.0 109.128 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.92 60.03 0.02 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -173.73 167.41 4.46 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.09 -1.241 . . . . 0.0 110.539 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.7 8.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.859 -1.151 . . . . 0.0 110.149 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 31.6 m-85 -137.94 133.45 33.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.022 -1.049 . . . . 0.0 109.011 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.424 ' CG1' ' CG1' ' A' ' 11' ' ' ILE . 12.3 p -123.11 139.8 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.95 -1.094 . . . . 0.0 109.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.2 mp -101.8 126.02 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.998 -1.064 . . . . 0.0 108.614 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.4 152.33 18.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -54.03 -39.13 65.88 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.107 -0.996 . . . . 0.0 109.79 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.13 161.34 37.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.004 -1.06 . . . . 0.0 109.809 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.9 -37.51 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.1 -1.0 . . . . 0.0 109.717 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 p -62.42 -37.25 85.09 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.949 -1.094 . . . . 0.0 109.943 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -33.16 67.06 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.875 -1.141 . . . . 0.0 110.608 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.52 -31.52 47.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.699 -1.25 . . . . 0.0 109.762 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 17.8 m -60.88 -41.74 96.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.915 -1.116 . . . . 0.0 109.367 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -72.94 -40.9 65.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.973 -1.08 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.46 62.87 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.945 -1.097 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.36 -35.97 15.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.523 -1.361 . . . . 0.0 110.529 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -63.2 -37.42 87.17 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.876 -1.14 . . . . 0.0 110.155 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.44 -31.98 18.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.896 -1.127 . . . . 0.0 110.568 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -101.41 34.18 2.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.752 -1.217 . . . . 0.0 110.232 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -82.38 93.34 7.17 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.818 -1.176 . . . . 0.0 108.866 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.54 62.68 1.84 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.85 167.35 16.29 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.091 -1.24 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.0 137.38 15.56 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.855 1.703 . . . . 0.0 110.626 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 28' ' ' SER . 9.0 t80 -126.19 -59.73 1.31 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.085 -1.009 . . . . 0.0 108.989 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 4.0 m-85 -118.98 67.44 0.78 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.04 -1.038 . . . . 0.0 109.274 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.49 40.28 17.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.631 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -173.12 152.86 2.35 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 120.977 -1.077 . . . . 0.0 109.955 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.67 146.08 23.66 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.775 1.65 . . . . 0.0 110.472 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 135.77 13.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.072 -1.017 . . . . 0.0 110.193 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -97.63 146.65 25.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 108.847 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.28 137.21 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 110.334 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -123.13 134.99 54.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' ' N ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -50.33 157.61 0.68 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.861 -1.149 . . . . 0.0 110.008 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.78 17.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.993 -1.067 . . . . 0.0 109.691 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -92.04 -39.69 11.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.135 -0.978 . . . . 0.0 109.677 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.1 p -117.38 179.65 3.99 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.974 -1.079 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 16.1 m-20 -88.97 -176.44 5.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.032 -1.043 . . . . 0.0 109.269 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.06 148.34 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.049 -1.032 . . . . 0.0 109.669 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.8 -26.0 64.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.096 -1.002 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.0 pt -67.09 -39.21 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.548 -1.345 . . . . 0.0 109.063 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.97 -21.77 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 O-C-N 120.99 -1.069 . . . . 0.0 109.706 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.13 53.78 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.492 -1.38 . . . . 0.0 109.153 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -97.08 -15.47 20.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.986 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.0 mmt -65.37 -35.75 81.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.73 -1.231 . . . . 0.0 109.612 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -47.5 -35.47 8.85 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 120.925 -1.11 . . . . 0.0 109.248 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.9 77.99 0.02 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.0 t 38.67 46.29 0.99 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.679 -0.895 . . . . 0.0 111.28 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 23.7 t80 45.1 91.08 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.183 -0.948 . . . . 0.0 111.083 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 109.082 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 110.871 2.671 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.001 0 O4'-C1'-N19 111.083 2.883 . 0.035 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.409 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 110.901 2.701 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' C2 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 O4'-C1'-N19 110.925 2.725 . 0.139 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.071 0 O4'-C1'-N19 111.216 3.016 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C3'-C2'-C1' 103.913 2.682 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.46 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.448 3.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.46 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.18 0 O4'-C1'-N19 111.456 3.256 . 0.114 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 O4'-C1'-N19 110.971 2.771 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 C5'-C4'-C3' 111.646 -2.569 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.448 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.151 2.951 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . 0.41 " O2'" ' N7 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C3'-C2'-C1' 104.319 3.133 . 0.333 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.448 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.706 -2.529 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.51 ' N2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 O4'-C1'-N19 110.869 2.669 . 0.818 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.51 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.117 0 O4'-C1'-N19 111.102 2.902 . 0.586 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.015 2.815 . 0.358 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 O4'-C1'-N19 111.108 2.908 . 0.23 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 C5'-C4'-C3' 111.643 -2.572 . 0.235 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.893 0 O4'-C1'-N19 111.102 2.902 . 0.346 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.429 " O2'" ' OP1' ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 O4'-C1'-N19 110.934 2.734 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.429 ' OP1' " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.899 0 O4'-C1'-N19 110.818 2.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.432 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 110.876 2.676 . 0.066 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.948 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.888 2.688 . 0.064 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.535 " O2'" ' P ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.395 3.195 . 0.362 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.535 ' P ' " O2'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.103 0 O4'-C1'-N19 111.435 3.235 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C1'-N19 111.468 3.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.535 ' N2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.209 3.009 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.433 3.233 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 110.875 2.675 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.6 t -140.7 82.37 15.8 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.086 -1.009 . . . . 0.0 109.529 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.82 120.92 5.26 Favored 'Trans proline' 0 C--N 1.323 -0.798 0 C-N-CA 121.867 1.712 . . . . 0.0 110.431 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -88.88 -169.95 2.73 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 109.407 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.4 p -89.9 -174.23 4.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.081 -1.012 . . . . 0.0 109.029 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -57.47 154.63 22.94 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.014 -1.054 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.74 145.09 22.61 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.808 1.672 . . . . 0.0 110.429 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.97 -179.76 3.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.121 -0.987 . . . . 0.0 109.561 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.59 -39.27 10.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 m -108.11 135.76 48.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.001 -1.062 . . . . 0.0 109.781 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -94.11 176.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.98 . . . . 0.0 108.806 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 77.4 t80 -147.9 150.18 33.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.026 -1.046 . . . . 0.0 109.721 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.67 144.06 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 0.0 108.797 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -143.86 -175.96 4.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 109.455 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.91 43.89 8.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 109.126 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -99.77 -171.16 2.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 0.0 109.179 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.53 153.1 33.72 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.972 -1.08 . . . . 0.0 109.363 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.5 42.09 1.28 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -148.17 34.91 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -110.43 156.6 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.959 -1.088 . . . . 0.0 109.89 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -179.95 5.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.977 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.56 -36.75 32.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.986 -1.071 . . . . 0.0 109.872 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -74.44 -20.83 59.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.095 -1.003 . . . . 0.0 109.598 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 39.5 mt-10 -81.54 -45.13 16.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.647 -1.283 . . . . 0.0 110.087 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.21 -28.5 64.25 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.9 -1.125 . . . . 0.0 110.784 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -81.19 -29.56 34.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.694 -1.254 . . . . 0.0 109.918 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.35 -30.28 61.94 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.744 -1.223 . . . . 0.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -83.29 -38.27 22.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.622 -1.299 . . . . 0.0 110.213 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.51 -39.17 88.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.867 -1.146 . . . . 0.0 109.977 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -66.6 -29.43 69.48 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.049 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -78.31 -68.05 0.68 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.691 -1.256 . . . . 0.0 109.993 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -49.08 -55.75 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.911 -1.118 . . . . 0.0 111.371 -178.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.91 -41.68 98.19 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.77 -1.206 . . . . 0.0 110.914 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 21.8 p -53.47 -33.45 54.25 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.739 -1.226 . . . . 0.0 110.49 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -54.52 -49.06 71.12 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.63 -1.294 . . . . 0.0 109.609 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -57.41 -59.01 5.79 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 -163.99 11.11 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.15 143.97 26.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.031 -1.276 . . . . 0.0 109.474 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.45 145.14 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.013 . . . . 0.0 109.65 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mp -91.88 -41.22 10.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.143 -0.973 . . . . 0.0 109.424 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -173.17 141.96 0.99 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.2 131.45 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.006 -1.059 . . . . 0.0 109.326 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.37 127.76 46.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.995 -1.066 . . . . 0.0 109.715 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -133.69 127.5 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.095 -1.003 . . . . 0.0 109.152 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -119.55 159.59 24.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.961 -1.087 . . . . 0.0 109.696 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -124.31 32.03 5.61 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.041 -1.037 . . . . 0.0 110.247 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -94.0 174.91 6.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.83 -1.169 . . . . 0.0 108.787 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.92 -54.78 43.25 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.84 -1.163 . . . . 0.0 109.651 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -56.03 -39.93 72.69 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.934 -1.104 . . . . 0.0 109.705 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -99.85 60.91 1.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.934 -1.104 . . . . 0.0 109.449 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -107.1 119.7 40.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.949 -1.095 . . . . 0.0 109.477 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.42 40.08 91.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -157.04 143.31 18.05 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.952 -1.322 . . . . 0.0 109.921 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.28 165.66 35.02 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.992 -1.068 . . . . 0.0 110.286 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.5 m-85 -118.62 152.6 35.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.97 -1.081 . . . . 0.0 109.072 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.83 117.2 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.954 -1.091 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.9 mt -89.32 136.19 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.914 -1.116 . . . . 0.0 109.054 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -115.45 137.07 52.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 109.507 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -50.83 -38.38 48.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.949 -1.095 . . . . 0.0 109.889 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -120.48 150.83 40.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.044 -1.035 . . . . 0.0 109.555 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.75 -38.13 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.811 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -61.24 -35.48 77.35 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.981 -1.074 . . . . 0.0 110.076 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -56.73 -37.13 70.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.79 -1.194 . . . . 0.0 110.094 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.38 -31.0 57.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.747 -1.221 . . . . 0.0 109.635 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -59.61 -40.01 86.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.99 -1.069 . . . . 0.0 109.735 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.16 -35.4 56.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.0 -1.063 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.8 -10.83 60.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.769 -1.207 . . . . 0.0 111.25 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.19 -41.9 6.91 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.38 -1.45 . . . . 0.0 110.66 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -73.97 -42.57 60.27 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.76 -1.212 . . . . 0.0 109.856 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -38.02 89.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.07 -1.019 . . . . 0.0 109.752 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -104.67 36.29 2.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -82.31 93.76 7.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.916 -1.115 . . . . 0.0 109.075 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.13 53.56 2.48 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -125.1 164.92 28.79 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.128 -1.219 . . . . 0.0 109.648 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 129.76 9.82 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.798 1.665 . . . . 0.0 110.601 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 17.3 t80 -123.59 -59.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 0.0 108.929 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.7 m-85 -113.53 65.66 0.65 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.014 -1.054 . . . . 0.0 109.096 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.11 40.44 25.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.075 . . . . 0.0 109.524 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.79 153.85 2.75 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.03 -1.043 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.52 143.01 21.29 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.783 1.656 . . . . 0.0 110.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.25 140.74 22.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.968 -1.083 . . . . 0.0 110.001 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -101.23 147.08 26.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.135 -0.978 . . . . 0.0 108.912 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.5 mt -109.5 139.33 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.018 -1.051 . . . . 0.0 110.077 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -140.62 140.0 34.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.059 -1.025 . . . . 0.0 108.831 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -51.0 176.1 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.804 -1.185 . . . . 0.0 109.974 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.85 164.97 12.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.995 -1.066 . . . . 0.0 109.508 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -70.61 -44.12 67.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.013 -1.055 . . . . 0.0 109.167 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 p -122.02 179.8 4.4 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.123 -0.986 . . . . 0.0 109.646 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.13 -175.98 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.24 168.95 9.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.084 -1.01 . . . . 0.0 109.519 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.409 ' OD2' ' N3 ' ' B' ' 45' ' ' ' C' . 0.8 OUTLIER -93.47 -22.92 18.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.05 -1.031 . . . . 0.0 111.047 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 93' ' ' ILE . 2.0 pp -59.3 -23.93 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.58 -1.325 . . . . 0.0 109.434 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -73.15 -41.13 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.495 -1.378 . . . . 0.0 107.524 177.638 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.09 -36.03 60.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.206 -0.934 . . . . 0.0 109.878 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -72.91 -34.31 66.55 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.846 -1.159 . . . . 0.0 110.959 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.422 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.7 mmt -66.4 -28.25 68.48 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.179 -0.951 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -47.55 -34.78 8.07 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.75 -1.219 . . . . 0.0 109.021 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.38 -46.58 0.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 t 179.69 49.99 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.968 -1.313 . . . . 0.0 110.272 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 45.58 45.99 10.97 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.157 -0.964 . . . . 0.0 111.062 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.499 2.016 0 O-C-N 120.928 -1.107 . . . . 0.0 110.107 -179.741 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.538 ' C6 ' ' N3 ' ' B' ' 50' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C3'-C2'-C1' 104.348 3.164 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 110.998 2.798 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.418 " O2'" " O4'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.099 2.899 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.418 " O4'" " O2'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 110.844 2.644 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.409 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.536 1.972 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C5'-C4'-C3' 111.563 -2.624 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.442 ' N7 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 C3'-C2'-C1' 104.35 3.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 111.598 3.398 . 0.019 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 110.953 2.753 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.502 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 O4'-C1'-N19 110.944 2.744 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C1'-N19 111.152 2.952 . 0.058 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 C3'-C2'-C1' 104.145 2.939 . 0.258 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.439 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.629 -2.581 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.439 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 O4'-C1'-N19 110.861 2.661 . 0.892 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.004 2.804 . 0.618 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.502 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.363 3.163 . 0.146 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.18 2.98 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 110.846 2.646 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.442 ' C2 ' ' N7 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.868 0 O4'-C1'-N19 110.993 2.793 . 0.52 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.158 2.958 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.91 0 O4'-C1'-N19 111.088 2.888 . 0.256 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.442 ' N2 ' ' O ' ' A' ' 48' ' ' LEU . . . . . . . . 0 P--O5' 1.613 2.023 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.451 " O2'" ' CE ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.436 1.806 0 C5'-C4'-C3' 111.602 -2.599 . 0.057 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 110.871 2.671 . 0.111 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C5'-C4'-C3' 111.79 -2.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.23 3.03 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . 0.457 " O2'" " C5'" ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.068 0 O4'-C1'-N19 111.511 3.311 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.457 " C5'" " O2'" ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.188 2.988 . 0.158 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.151 2.951 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . 0.538 ' N3 ' ' C6 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 O4'-C1'-N19 110.694 2.494 . 0.359 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 11.6 t -73.08 -46.27 8.22 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.024 -1.048 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.4 Cg_endo -78.84 89.83 1.33 Allowed 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 121.067 1.178 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.31 -178.72 0.05 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.065 . . . . 0.0 109.365 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -92.54 155.77 17.58 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 109.243 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -88.67 152.13 48.74 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.085 -1.01 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.39 110.95 2.95 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 121.836 1.691 . . . . 0.0 110.513 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -89.2 175.34 7.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.091 -1.005 . . . . 0.0 109.267 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -68.47 -37.75 80.45 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.009 -1.057 . . . . 0.0 109.783 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.7 m -107.19 156.58 18.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.917 -1.114 . . . . 0.0 109.999 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 pt -117.49 147.69 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 108.894 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.416 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 80.0 t80 -117.48 147.03 43.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.188 -0.945 . . . . 0.0 109.77 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -126.88 148.06 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.975 . . . . 0.0 108.616 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -139.79 -180.0 6.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.957 -1.089 . . . . 0.0 109.9 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.93 41.42 4.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.985 -1.072 . . . . 0.0 109.648 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.3 135.18 41.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.977 -1.077 . . . . 0.0 109.43 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -58.86 153.75 16.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.014 -1.054 . . . . 0.0 109.008 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -101.96 56.98 0.81 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 110.119 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -147.37 32.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.895 -1.128 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.12 154.03 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.785 -1.197 . . . . 0.0 110.067 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -81.05 -179.7 7.47 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.76 -39.55 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.919 -1.113 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.29 -18.69 57.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.03 -1.044 . . . . 0.0 109.476 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.1 mt-10 -84.74 -41.84 15.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.683 -1.261 . . . . 0.0 110.238 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -71.91 -36.37 69.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.906 -1.121 . . . . 0.0 110.144 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -76.0 -32.56 59.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.871 -1.143 . . . . 0.0 109.883 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -72.7 -25.77 61.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.811 -1.181 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -84.21 -37.94 21.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.567 -1.333 . . . . 0.0 110.342 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.36 -47.65 72.73 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.916 -1.115 . . . . 0.0 109.516 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -58.68 -26.15 63.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.22 -0.925 . . . . 0.0 111.044 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.3 -70.41 0.56 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.564 -1.335 . . . . 0.0 110.211 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.88 -56.88 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.957 -1.089 . . . . 0.0 111.773 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.43 -35.28 80.4 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.846 -1.159 . . . . 0.0 110.704 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 t -54.4 -35.82 63.28 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.744 -1.223 . . . . 0.0 110.298 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -47.32 61.23 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.728 -1.233 . . . . 0.0 110.132 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.88 -58.01 10.42 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.002 -1.062 . . . . 0.0 109.626 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.57 -148.82 4.96 Favored Glycine 0 N--CA 1.495 2.626 0 C-N-CA 119.774 -1.203 . . . . 0.0 110.108 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -97.84 142.15 29.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.32 . . . . 0.0 109.599 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.3 119.51 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.999 -1.063 . . . . 0.0 109.314 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.57 -41.72 97.81 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.977 -1.077 . . . . 0.0 109.33 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.44 159.64 0.71 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.012 -1.055 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.3 mt -123.73 157.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.968 . . . . 0.0 109.011 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -139.13 141.81 38.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.912 -1.118 . . . . 0.0 109.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.0 m -140.13 121.77 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 108.968 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -104.32 177.74 4.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.039 . . . . 0.0 109.752 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -146.55 35.7 0.96 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.046 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 p -91.76 -169.62 2.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.723 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N2 ' ' B' ' 42' ' ' ' G' . 4.9 tt -64.75 -40.15 94.8 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.763 -1.211 . . . . 0.0 109.758 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -79.18 -38.75 35.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.96 -1.088 . . . . 0.0 109.928 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mmt -96.44 53.08 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.7 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -107.22 39.46 1.88 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 109.37 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.62 55.57 0.02 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -169.61 170.35 8.15 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.059 -1.26 . . . . 0.0 110.342 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.4 170.81 17.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.773 -1.205 . . . . 0.0 109.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 52.5 m-85 -134.78 112.77 11.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.004 -1.06 . . . . 0.0 109.472 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.26 110.06 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.913 -1.117 . . . . 0.0 109.481 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.71 125.23 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.155 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -101.46 142.11 33.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.458 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -39.72 58.47 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.982 -1.074 . . . . 0.0 109.754 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 153.76 34.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.055 -1.028 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.99 -35.61 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.049 -1.032 . . . . 0.0 109.978 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 p -60.23 -37.47 80.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.895 -1.128 . . . . 0.0 110.037 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -59.2 -36.09 74.76 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.87 -1.144 . . . . 0.0 110.194 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.61 -29.09 59.11 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.733 -1.229 . . . . 0.0 109.648 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -37.71 88.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.927 -1.108 . . . . 0.0 109.503 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.03 -32.15 50.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -13.37 60.05 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.725 -1.235 . . . . 0.0 111.437 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.4 -43.41 6.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.391 -1.443 . . . . 0.0 110.444 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -76.82 -40.68 47.13 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 109.742 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 t -64.49 -35.81 82.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.134 -0.979 . . . . 0.0 109.81 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.9 mtp -103.14 36.53 2.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.32 101.93 0.27 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.99 -1.069 . . . . 0.0 109.042 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.09 68.64 1.53 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.07 162.8 31.65 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.061 -1.258 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.92 133.39 12.46 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.86 1.707 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -122.63 -59.24 1.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 0.0 108.82 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 3.2 m-85 -124.95 68.52 1.11 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.977 -1.077 . . . . 0.0 108.912 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.11 41.91 16.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.034 -1.041 . . . . 0.0 109.154 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -173.03 142.52 1.04 Allowed Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 120.999 -1.063 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.59 146.4 24.13 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.488 1.458 . . . . 0.0 110.149 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.69 138.45 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.995 -1.066 . . . . 0.0 110.345 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -99.92 150.13 22.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -0.99 . . . . 0.0 108.748 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.49 138.65 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.981 -1.074 . . . . 0.0 110.172 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -124.83 134.38 52.75 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -48.39 143.14 5.01 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.019 -1.05 . . . . 0.0 110.814 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.15 -172.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' CE ' " O2'" ' B' ' 43' ' ' ' C' . 4.6 mtmp? -97.21 -44.42 6.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.055 . . . . 0.0 109.716 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -118.64 179.8 4.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 109.822 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.64 -174.39 5.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.065 -1.022 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.464 ' OG ' ' N3 ' ' B' ' 45' ' ' ' C' . 0.2 OUTLIER -99.15 164.24 12.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.064 -1.022 . . . . 0.0 109.749 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.75 -35.13 39.24 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.986 -1.071 . . . . 0.0 109.944 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 pt -54.45 -27.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.743 -1.223 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.7 mp -77.45 -39.53 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.456 -1.403 . . . . 0.0 108.397 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.88 -32.74 9.39 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.972 -1.08 . . . . 0.0 110.45 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -73.74 -42.76 60.68 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.814 -1.178 . . . . 0.0 110.329 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -22.47 66.92 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.529 -0.732 . . . . 0.0 111.482 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.88 -39.44 59.0 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.501 -1.375 . . . . 0.0 108.27 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.12 75.19 0.03 OUTLIER Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t 40.16 74.41 0.1 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.687 -0.89 . . . . 0.0 110.768 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -46.67 125.48 7.22 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.223 -0.923 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 110.917 2.717 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.064 0 O4'-C1'-N19 111.132 2.932 . 0.26 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 110.861 2.661 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.918 0 O4'-C1'-N19 110.914 2.714 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.902 0 O4'-C1'-N19 111.159 2.959 . 0.311 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.544 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C3'-C2'-C1' 104.142 2.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.423 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.274 0 O4'-C1'-N19 111.564 3.364 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 110.908 2.708 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-C3' 111.623 -2.585 . 0.063 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 111.134 2.934 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C3'-C2'-C1' 104.181 2.979 . 0.309 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 C5'-C4'-C3' 111.607 -2.595 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.987 2.787 . 0.891 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.102 0 O4'-C1'-N19 111.199 2.999 . 0.652 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.052 2.852 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C1'-N19 111.252 3.052 . 0.234 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 110.901 2.701 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.49 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.959 0 O4'-C1'-N19 110.958 2.758 . 0.44 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.49 ' C2 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.979 0 O4'-C1'-N19 111.084 2.884 . 0.224 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.416 ' OP1' ' C2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 111.575 -2.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.433 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 O4'-C1'-N19 110.851 2.651 . 0.066 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.781 0 O4'-C1'-N19 110.925 2.725 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.44 ' N6 ' ' O ' ' A' ' 89' ' ' ASP . . . . . . . . 0 O4'--C1' 1.437 1.896 0 C5'-C4'-C3' 111.474 -2.684 . 0.069 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 O4'-C1'-N19 111.506 3.306 . 0.09 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.544 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.13 0 O4'-C1'-N19 111.305 3.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.046 0 O4'-C1'-N19 111.564 3.364 . 0.428 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 O4'-C1'-N19 111.119 2.919 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 110.904 2.704 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 110.778 2.578 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.53 68.29 31.26 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 109.356 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.3 170.05 20.19 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.803 1.668 . . . . 0.0 110.372 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 156.52 29.0 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.133 -0.979 . . . . 0.0 109.602 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -99.13 -46.85 5.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 109.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 0.2 OUTLIER 62.73 153.52 0.11 Allowed Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.064 -1.022 . . . . 0.0 109.513 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.06 139.85 17.46 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.73 1.62 . . . . 0.0 110.158 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -135.59 157.17 47.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.027 . . . . 0.0 109.597 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -39.35 75.12 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.126 -0.984 . . . . 0.0 109.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -108.44 140.75 41.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.984 -1.072 . . . . 0.0 109.784 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 pt -100.66 147.99 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 0.0 109.152 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 79.9 t80 -118.02 122.44 43.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.88 148.64 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.118 -0.989 . . . . 0.0 109.057 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -146.71 -175.06 4.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.991 -1.068 . . . . 0.0 109.698 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.95 40.83 22.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.044 -1.035 . . . . 0.0 109.391 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.23 143.64 30.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -60.96 153.73 24.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.078 -1.014 . . . . 0.0 108.725 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' OE2' ' C2 ' ' B' ' 40' ' ' ' U' . 4.5 mt-10 -100.4 59.32 0.99 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.0 109.959 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -148.51 33.6 0.79 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.048 . . . . 0.0 110.403 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -111.48 153.74 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.821 -1.175 . . . . 0.0 109.818 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -83.88 -178.74 7.08 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -86.87 -39.97 15.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.882 -1.137 . . . . 0.0 109.309 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.12 -23.04 54.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.082 -1.011 . . . . 0.0 109.1 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.9 tt0 -79.74 -44.31 20.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.864 -1.147 . . . . 0.0 110.127 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.86 -31.17 68.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.91 -1.119 . . . . 0.0 110.514 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -76.35 -32.18 58.49 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.762 -1.211 . . . . 0.0 109.997 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -34.94 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.818 -1.176 . . . . 0.0 110.423 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -78.47 -33.51 48.26 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.763 -1.211 . . . . 0.0 110.389 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.84 -42.62 90.28 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.757 -1.214 . . . . 0.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.415 ' O ' ' OG ' ' A' ' 34' ' ' SER . 9.5 t-80 -64.56 -27.75 69.17 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.218 -0.926 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.34 -69.4 0.58 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.611 -1.306 . . . . 0.0 110.061 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -54.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.982 -1.074 . . . . 0.0 111.906 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -67.53 -36.5 81.14 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.839 -1.163 . . . . 0.0 111.295 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 12.2 p -55.75 -35.42 66.17 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.659 -1.276 . . . . 0.0 110.267 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -51.42 -45.84 62.72 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.701 -1.249 . . . . 0.0 110.023 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -53.47 -62.16 1.83 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.963 -1.085 . . . . 0.0 109.816 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.48 -122.84 1.11 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -122.65 129.94 52.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.057 -1.26 . . . . 0.0 109.398 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mt -96.12 134.59 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 0.0 109.287 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.85 -42.03 18.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.056 . . . . 0.0 109.604 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.13 157.48 18.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.136 -0.978 . . . . 0.0 110.27 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.42 115.43 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.025 . . . . 0.0 109.209 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.59 112.75 24.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.855 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 7.8 t -93.5 161.3 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.018 -1.051 . . . . 0.0 108.378 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.06 130.83 39.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.934 -1.103 . . . . 0.0 109.797 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -120.59 30.96 6.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.084 -1.01 . . . . 0.0 110.37 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' ' OP1' ' B' ' 25' ' ' ' G' . 13.5 t -103.26 159.82 15.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.695 -1.253 . . . . 0.0 109.027 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' " O2'" ' B' ' 40' ' ' ' U' . 2.5 tt -57.67 -57.27 13.45 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.853 -1.154 . . . . 0.0 109.515 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -54.19 -37.19 64.23 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.003 -1.06 . . . . 0.0 110.07 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.41 51.87 0.73 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 0.0 109.107 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.6 ttt-85 -105.37 154.2 20.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.106 -0.996 . . . . 0.0 109.521 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.58 93.55 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 7.3 pt20 -158.73 159.89 35.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.919 -1.342 . . . . 0.0 109.827 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.44 171.12 16.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.927 -1.108 . . . . 0.0 109.912 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -132.48 132.01 42.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 109.031 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 58' ' ' PHE . 22.4 t -129.55 147.38 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 109.562 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.62 138.2 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.007 -1.058 . . . . 0.0 108.648 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 56' ' ' VAL . 59.1 m-85 -124.0 153.49 41.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.069 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 117.94 5.28 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 71.69 156.47 0.16 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.5 t -74.84 -30.46 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.08 -1.012 . . . . 0.0 110.857 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 p -58.07 -38.48 76.43 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.746 -1.221 . . . . 0.0 110.594 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.3 t -58.62 -37.19 75.36 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.82 -1.175 . . . . 0.0 110.47 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.13 56.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.723 -1.236 . . . . 0.0 109.918 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -59.28 -38.46 80.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.801 -1.187 . . . . 0.0 109.574 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.17 -35.17 31.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.974 -1.079 . . . . 0.0 109.843 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -19.95 65.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.774 -1.204 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -100.26 -52.15 3.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.386 -1.446 . . . . 0.0 110.966 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -40.51 73.01 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.844 -1.16 . . . . 0.0 110.163 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 m -69.18 -33.71 73.79 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.03 -1.044 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -101.43 35.36 2.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.761 -1.212 . . . . 0.0 110.167 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.57 96.12 1.92 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.878 -1.139 . . . . 0.0 108.946 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.8 69.43 1.4 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.52 161.68 59.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.266 . . . . 0.0 109.442 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -76.47 138.21 19.36 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.828 1.685 . . . . 0.0 110.158 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -129.68 -59.94 1.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.109 -0.994 . . . . 0.0 109.315 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.445 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.9 m-85 -122.79 69.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.032 -1.042 . . . . 0.0 109.099 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.8 42.06 20.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.951 -1.093 . . . . 0.0 109.098 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -176.79 140.91 0.49 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.116 -0.99 . . . . 0.0 109.771 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -76.61 148.16 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 121.399 1.399 . . . . 0.0 110.134 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.2 143.36 24.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.078 -1.014 . . . . 0.0 110.004 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -98.01 146.68 25.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.94 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.44 137.91 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.031 -1.043 . . . . 0.0 110.153 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -132.7 135.34 45.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 108.541 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 60.5 m-85 -47.91 169.22 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.053 -1.029 . . . . 0.0 110.901 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.97 128.19 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -37.99 66.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.906 -1.121 . . . . 0.0 109.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 p -99.66 178.94 4.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.935 -1.103 . . . . 0.0 109.537 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' O ' ' N6 ' ' B' ' 44' ' ' ' A' . 35.2 m-20 -116.82 175.87 5.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.965 -1.084 . . . . 0.0 109.538 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -98.24 165.25 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -103.09 -8.46 20.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.087 -1.008 . . . . 0.0 111.75 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 pt -56.56 -24.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.305 -1.497 . . . . 0.0 109.487 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 mm -77.55 -40.35 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 120.56 -1.337 . . . . 0.0 108.216 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.86 -37.91 64.16 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.048 -1.033 . . . . 0.0 110.028 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -69.3 -35.23 75.78 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.961 -1.087 . . . . 0.0 110.965 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.406 ' N ' ' CE ' ' A' ' 96' ' ' MET . 29.9 mmt -65.88 -30.25 70.82 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.277 -0.889 . . . . 0.0 110.05 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -48.86 -35.55 14.95 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.797 -1.189 . . . . 0.0 109.439 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.26 69.8 0.01 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 t 38.52 45.05 0.82 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.648 -0.913 . . . . 0.0 111.358 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.4 t80 45.53 91.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.134 -0.978 . . . . 0.0 110.994 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.05 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 O4'-C1'-N19 110.906 2.706 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.428 ' C5 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.842 0 O4'-C1'-N19 110.998 2.798 . 0.444 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.428 ' C4 ' ' C5 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 110.974 2.774 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.53 ' N6 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.898 0 O4'-C1'-N19 110.96 2.76 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.53 ' C6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.97 0 O4'-C1'-N19 111.186 2.986 . 0.342 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C3'-C2'-C1' 104.25 3.056 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.132 0 O4'-C1'-N19 111.397 3.197 . 0.089 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 110.914 2.714 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.537 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.246 0 O4'-C1'-N19 111.581 3.381 . 0.138 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.537 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.103 2.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C3'-C2'-C1' 104.237 3.041 . 0.3 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C5'-C4'-C3' 111.63 -2.58 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 110.883 2.683 . 0.899 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.411 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.145 2.945 . 0.609 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.431 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 O4'-C1'-N19 111.109 2.909 . 0.347 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.431 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.987 0 O4'-C1'-N19 111.157 2.957 . 0.287 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.429 " O4'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 110.818 2.618 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C1'-N19 111.038 2.838 . 0.419 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.018 2.818 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 110.773 2.573 . 0.01 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.442 ' C5 ' ' OE1' ' A' ' 53' ' ' GLN . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 O4'-C1'-N19 110.854 2.654 . 0.453 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.458 ' C5 ' ' CE2' ' A' ' 12' ' ' TYR . . . . . . . . 0 P--O5' 1.612 1.879 0 O4'-C1'-N19 110.917 2.717 . 0.064 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.537 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C4' 1.429 -1.985 0 O4'-C1'-N19 110.965 2.765 . 0.291 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.529 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 110.849 2.649 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.142 0 O4'-C1'-N19 111.497 3.297 . 0.11 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.483 ' N1 ' ' N1 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.077 0 O4'-C1'-N19 111.061 2.861 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 O4'-C1'-N19 110.945 2.745 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 O4'-C1'-N19 110.842 2.642 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.07 71.83 34.16 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.012 -1.055 . . . . 0.0 109.562 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.06 109.5 2.71 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.899 1.733 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -57.34 179.52 0.05 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.006 -1.059 . . . . 0.0 109.518 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -139.71 150.05 44.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.4 158.76 13.61 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.11 135.73 14.02 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.857 1.705 . . . . 0.0 110.373 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.24 172.96 6.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.528 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.92 -39.53 34.54 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.078 -1.014 . . . . 0.0 109.438 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.5 m -107.32 156.32 19.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.994 -1.066 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 pt -113.79 160.22 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 108.579 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.458 ' CE2' ' C5 ' ' B' ' 43' ' ' ' C' . 42.8 t80 -125.36 121.73 34.77 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.28 152.18 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.897 -1.127 . . . . 0.0 109.077 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.35 159.82 41.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.018 . . . . 0.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t30 71.16 71.67 0.18 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.045 -1.035 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.65 -175.19 3.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.004 -1.06 . . . . 0.0 109.024 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.53 148.18 48.51 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.921 -1.112 . . . . 0.0 109.171 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.92 35.49 2.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.047 -1.033 . . . . 0.0 110.289 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -154.29 38.42 0.44 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.869 -1.144 . . . . 0.0 109.705 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -105.08 156.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.068 -1.02 . . . . 0.0 110.583 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -173.46 3.58 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 121.402 -0.811 . . . . 0.0 109.189 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -86.87 -37.66 17.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.021 -1.049 . . . . 0.0 109.6 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.15 -22.73 48.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.121 -0.987 . . . . 0.0 109.319 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.1 tp10 -82.61 -40.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.686 -1.259 . . . . 0.0 110.281 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.88 -28.07 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.95 -1.094 . . . . 0.0 110.727 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -85.61 -24.19 27.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.625 -1.297 . . . . 0.0 109.773 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -78.06 -24.15 47.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.576 -1.328 . . . . 0.0 110.156 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -95.5 -41.93 8.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.568 -1.332 . . . . 0.0 110.954 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -31.65 56.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.815 -1.178 . . . . 0.0 109.783 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.18 -29.65 69.97 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.788 -1.195 . . . . 0.0 109.28 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.18 -58.45 3.27 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.775 -1.203 . . . . 0.0 109.754 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -57.79 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.134 . . . . 0.0 111.129 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.93 -29.69 70.84 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.758 -1.214 . . . . 0.0 111.204 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -62.34 -33.04 73.92 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.736 -1.228 . . . . 0.0 111.209 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -32.48 19.86 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.638 -1.289 . . . . 0.0 110.932 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -64.6 -60.5 3.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.654 -1.279 . . . . 0.0 109.35 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.82 -96.46 0.17 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -147.87 134.91 20.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.237 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.3 mt -97.13 118.24 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.151 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.76 -43.2 99.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.989 -1.07 . . . . 0.0 109.355 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.98 146.32 0.24 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.1 -1.0 . . . . 0.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 mt -119.39 141.77 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.092 -1.005 . . . . 0.0 109.106 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.47 134.64 53.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.994 -1.067 . . . . 0.0 110.306 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.3 m -143.37 121.36 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -114.36 -177.73 3.2 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.884 -1.135 . . . . 0.0 110.08 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 33.07 3.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 p -85.45 172.58 10.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.705 -1.247 . . . . 0.0 108.665 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.15 -42.99 99.54 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.783 -1.198 . . . . 0.0 109.912 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -99.41 62.63 1.24 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.0 109.64 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.51 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 151.0 2.14 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.867 -1.146 . . . . 0.0 110.059 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.18 -36.44 4.2 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' OE1' ' C5 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -113.92 179.45 3.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.939 -1.33 . . . . 0.0 109.177 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.35 173.14 17.11 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.994 -1.067 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 97.5 m-85 -129.71 139.72 51.28 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.03 -1.043 . . . . 0.0 109.136 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.04 98.6 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.87 -1.144 . . . . 0.0 109.571 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.48 118.48 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.971 -1.081 . . . . 0.0 109.235 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -91.5 144.78 25.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.103 -0.998 . . . . 0.0 109.173 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -36.7 12.06 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.156 -0.965 . . . . 0.0 110.914 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.98 155.75 43.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.821 -1.174 . . . . 0.0 110.008 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.95 -37.18 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.096 -1.002 . . . . 0.0 109.643 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -61.44 -36.54 80.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.916 -1.115 . . . . 0.0 109.804 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -34.99 72.96 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.86 -1.15 . . . . 0.0 110.278 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.89 -28.76 55.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.751 -1.218 . . . . 0.0 109.889 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -66.36 -36.79 83.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.859 -1.151 . . . . 0.0 109.925 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.34 -37.19 52.94 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.871 -1.143 . . . . 0.0 109.642 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.64 -23.83 66.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.865 -1.147 . . . . 0.0 110.837 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tp -88.9 -36.16 16.1 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.484 -1.385 . . . . 0.0 110.405 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -66.83 -35.22 79.54 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.875 -1.141 . . . . 0.0 110.342 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -88.41 -34.11 17.66 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.909 -1.119 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.4 mtp -101.49 34.32 2.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.775 -1.203 . . . . 0.0 110.31 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 96.11 4.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.176 . . . . 0.0 108.523 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.04 60.12 2.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.41 159.21 42.64 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.123 -1.222 . . . . 0.0 109.941 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.67 140.38 20.99 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.798 1.665 . . . . 0.0 110.115 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CZ ' ' CE1' ' A' ' 77' ' ' TYR . 15.0 t80 -135.75 -61.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.128 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 m-85 -115.99 70.54 0.76 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.048 -1.032 . . . . 0.0 109.603 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.45 42.02 25.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.037 -1.039 . . . . 0.0 109.818 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 152.76 0.77 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.947 -1.096 . . . . 0.0 110.188 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.27 148.91 24.45 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.821 1.681 . . . . 0.0 110.034 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -149.14 120.9 8.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.991 -1.068 . . . . 0.0 110.073 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -91.22 151.94 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.083 -1.011 . . . . 0.0 108.809 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -127.37 137.57 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.103 -0.998 . . . . 0.0 110.563 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.08 145.33 50.38 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.5 136.2 16.9 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.036 -1.04 . . . . 0.0 110.152 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.26 179.71 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.013 -1.054 . . . . 0.0 109.656 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -93.21 -47.35 6.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.685 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -111.41 178.9 4.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.01 . . . . 0.0 109.633 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 13.5 m-20 -81.98 -173.16 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.033 -1.042 . . . . 0.0 109.245 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 t -99.74 150.9 21.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.068 -1.02 . . . . 0.0 109.664 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.04 -31.41 30.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.099 -1.001 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 pt -58.72 -27.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.715 -1.241 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.8 mp -80.12 -30.65 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 O-C-N 120.443 -1.41 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.19 19.05 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.529 -1.357 . . . . 0.0 110.159 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -91.2 -25.31 19.59 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.687 -1.258 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.401 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.3 mmt -65.77 -29.51 70.02 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.991 -1.068 . . . . 0.0 110.202 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -47.3 -35.64 8.21 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.767 -1.208 . . . . 0.0 108.981 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.72 -56.31 0.17 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 t -179.92 49.24 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.265 . . . . 0.0 110.309 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.7 t80 44.12 79.07 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.178 -0.951 . . . . 0.0 111.2 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.027 -1.045 . . . . 0.0 109.142 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.942 0 O4'-C1'-N19 110.949 2.749 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.995 0 O4'-C1'-N19 111.024 2.824 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 110.986 2.786 . 0.341 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 C5'-C4'-C3' 111.492 -2.672 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.122 0 O4'-C1'-N19 111.146 2.946 . 0.058 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.535 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C3'-C2'-C1' 104.315 3.128 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.529 ' N2 ' ' C2 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.529 ' C2 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.192 0 O4'-C1'-N19 111.372 3.172 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.424 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 110.953 2.753 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 O4'-C1'-N19 110.776 2.576 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.413 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.174 2.974 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C3'-C2'-C1' 104.198 2.997 . 0.432 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.429 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C5'-C4'-C3' 111.617 -2.588 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.429 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 110.824 2.624 . 0.873 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 O4'-C1'-N19 111.12 2.92 . 0.593 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.417 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 111.068 2.868 . 0.051 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.417 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.925 0 O4'-C1'-N19 111.077 2.877 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.415 ' N3 ' ' C6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.114 2.914 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 O4'-C1'-N19 110.97 2.77 . 0.468 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 111.391 3.191 . 0.295 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.869 0 C5'-C4'-C3' 111.422 -2.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 110.915 2.715 . 0.228 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.421 " O2'" ' OP2' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.069 0 O4'-C1'-N19 111.128 2.928 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.53 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.963 0 O4'-C1'-N19 110.987 2.787 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.53 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.075 2.875 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.535 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.072 0 O4'-C1'-N19 111.25 3.05 . 0.386 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.901 0 O4'-C1'-N19 111.526 3.326 . 0.192 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.076 0 O4'-C1'-N19 111.201 3.001 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C5'-C4'-C3' 111.656 -2.563 . 0.16 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.036 2.836 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.16 63.06 6.45 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.45 86.38 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 121.779 1.653 . . . . 0.0 110.311 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -70.69 104.44 2.84 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.019 -1.05 . . . . 0.0 109.701 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m 55.21 39.66 31.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.842 -1.161 . . . . 0.0 109.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 55.92 84.55 0.21 Allowed Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 120.962 -1.086 . . . . 0.0 109.648 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.56 138.85 17.66 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.804 1.669 . . . . 0.0 110.486 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -116.9 -178.26 3.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.081 -1.012 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.8 OUTLIER -106.83 30.75 5.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.038 -1.039 . . . . 0.0 110.336 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 56.7 m -167.92 110.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.775 -1.203 . . . . 0.0 110.319 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 pt -72.72 167.37 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.918 -1.114 . . . . 0.0 108.848 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -138.92 133.8 32.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.955 -1.09 . . . . 0.0 109.634 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.95 146.45 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.918 -1.114 . . . . 0.0 109.475 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -144.71 -173.77 4.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.023 -1.048 . . . . 0.0 109.621 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 62.06 44.2 8.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.038 -1.039 . . . . 0.0 109.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 mt -89.19 -173.61 4.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -81.13 153.11 27.46 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 109.157 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.27 42.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 109.834 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -148.24 33.93 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.912 -1.118 . . . . 0.0 110.095 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.22 157.22 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.084 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -94.77 -170.5 2.24 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.214 -0.929 . . . . 0.0 109.131 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -84.25 -36.42 22.72 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.027 -1.046 . . . . 0.0 110.011 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.79 -31.95 72.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.958 -1.089 . . . . 0.0 108.796 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -74.7 -53.25 9.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 109.398 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -51.32 -30.68 19.12 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.011 -1.056 . . . . 0.0 111.115 -179.673 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -78.55 -39.06 38.88 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.68 -1.262 . . . . 0.0 109.707 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -23.66 67.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.066 . . . . 0.0 110.943 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 m -90.96 -43.87 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.406 -1.434 . . . . 0.0 110.736 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.85 -33.54 73.21 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.888 -1.133 . . . . 0.0 110.963 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' ' CB ' ' A' ' 34' ' ' SER . 15.3 t-80 -72.36 -45.82 58.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.135 . . . . 0.0 110.393 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.39 76.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.045 -1.034 . . . . 0.0 110.469 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -53.75 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.895 -1.128 . . . . 0.0 110.951 -178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD1' ' CB ' ' A' ' 67' ' ' ALA . 13.9 m-85 -96.86 43.98 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.888 -1.132 . . . . 0.0 111.275 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.5 t -114.53 -55.17 2.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.778 -1.201 . . . . 0.0 109.737 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -37.54 62.56 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.931 -1.106 . . . . 0.0 110.093 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -54.93 -62.25 1.78 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.917 -1.114 . . . . 0.0 109.892 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.93 -137.86 3.43 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.44 135.95 53.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.264 . . . . 0.0 109.505 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.6 mt -99.35 118.1 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.09 -1.006 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 tp -69.98 -41.67 74.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.052 -1.03 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -177.09 154.57 1.08 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mt -117.97 156.23 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.083 -1.011 . . . . 0.0 108.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -126.37 125.47 42.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.967 -1.083 . . . . 0.0 109.956 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.14 138.78 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.138 -0.976 . . . . 0.0 109.035 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -127.72 164.2 22.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.948 -1.095 . . . . 0.0 109.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -127.44 40.24 3.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.091 -1.006 . . . . 0.0 109.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 t -86.14 159.33 19.55 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.946 -1.096 . . . . 0.0 108.781 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 tt -49.43 -36.29 21.87 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.89 -1.131 . . . . 0.0 110.591 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.71 -30.22 16.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.006 -1.059 . . . . 0.0 110.469 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 19.8 mtp -106.26 39.78 1.74 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.771 -1.206 . . . . 0.0 110.709 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.22 37.3 1.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.769 -1.207 . . . . 0.0 110.281 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 48.41 0.11 Allowed Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.08 156.81 4.94 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -1.199 . . . . 0.0 110.009 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.94 148.82 28.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.914 -1.116 . . . . 0.0 110.273 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.58 118.6 36.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 108.936 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -98.31 130.13 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.944 -1.097 . . . . 0.0 109.563 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.7 mt -114.96 142.36 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 108.825 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 28.1 m-85 -117.74 150.88 38.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.933 -1.104 . . . . 0.0 109.643 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -50.87 -39.31 53.63 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.945 -1.097 . . . . 0.0 109.754 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -116.85 176.61 5.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.963 -1.085 . . . . 0.0 109.399 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.5 t -88.41 -35.57 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.965 -1.085 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.2 p -58.41 -35.94 72.81 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.903 -1.123 . . . . 0.0 110.252 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -62.19 -37.78 86.61 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.749 -1.219 . . . . 0.0 110.139 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.52 61.92 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.925 -1.11 . . . . 0.0 109.606 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.2 m -69.45 -36.93 77.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.138 . . . . 0.0 109.823 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -70.51 -41.97 71.92 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.989 -1.069 . . . . 0.0 108.884 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 33' ' ' PHE . . . -55.94 -38.69 70.64 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.038 -1.039 . . . . 0.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.69 -33.82 69.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.999 -1.063 . . . . 0.0 110.37 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -94.09 56.66 2.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.813 -1.179 . . . . 0.0 109.445 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -144.75 -60.45 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.148 -0.97 . . . . 0.0 109.245 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.8 mmm -111.02 39.59 2.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.071 -1.018 . . . . 0.0 109.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.7 111.87 1.13 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.952 -1.092 . . . . 0.0 109.136 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.25 63.66 4.36 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.34 166.15 31.35 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.035 -1.273 . . . . 0.0 109.756 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.14 123.88 6.37 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.951 1.767 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.2 -59.85 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.1 -1.0 . . . . 0.0 109.179 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.483 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 2.5 m-85 -108.71 61.77 0.6 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.341 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.05 41.33 17.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.001 -1.062 . . . . 0.0 109.539 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 179.49 160.99 0.78 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.918 -1.114 . . . . 0.0 110.206 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.33 146.47 28.12 Favored 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.728 1.619 . . . . 0.0 110.213 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -147.16 137.34 23.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.078 . . . . 0.0 110.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -103.9 150.68 23.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.155 -0.966 . . . . 0.0 109.011 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.67 137.65 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.045 . . . . 0.0 110.101 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.19 135.54 27.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.146 -0.971 . . . . 0.0 108.777 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -51.71 171.03 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 109.615 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.94 173.54 10.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.014 -1.054 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -86.61 -48.05 8.66 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.027 -1.045 . . . . 0.0 109.306 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.0 p -111.28 176.66 4.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.968 -1.083 . . . . 0.0 109.371 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.437 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 2.8 p30 -79.27 175.41 10.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.446 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 12.2 m -97.24 147.82 23.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 109.369 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.69 -25.62 49.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.028 -1.045 . . . . 0.0 110.758 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 pt -58.0 -23.29 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.594 -1.316 . . . . 0.0 109.497 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -38.89 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.393 -1.442 . . . . 0.0 108.089 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.83 63.3 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.005 -1.059 . . . . 0.0 109.72 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -70.21 -35.23 73.75 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.872 -1.142 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.7 mmt -64.07 -29.53 70.66 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.336 -0.852 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -48.72 -37.31 18.41 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.737 -1.227 . . . . 0.0 109.318 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.58 84.78 0.05 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 t 38.42 38.62 0.24 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.612 -0.934 . . . . 0.0 111.426 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.5 t80 45.26 85.77 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.224 -0.923 . . . . 0.0 111.079 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.5 2.055 0 O-C-N 120.921 -1.112 . . . . 0.0 110.176 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 110.927 2.727 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.529 ' C6 ' ' N4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.874 0 O4'-C1'-N19 110.936 2.736 . 0.481 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.529 ' N4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 110.921 2.721 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.512 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.163 2.963 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.449 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.167 0 O4'-C1'-N19 111.367 3.167 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.449 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.033 0 O4'-C1'-N19 110.944 2.744 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.535 ' C6 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 111.577 3.377 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 O4'-C1'-N19 111.137 2.937 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.202 0 O4'-C1'-N19 111.011 2.811 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.45 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O4'-C1'-N19 111.056 2.856 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.46 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.98 0 C3'-C2'-C1' 104.384 3.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C3'-C2'-C1' 104.256 3.062 . 0.046 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.549 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 111.448 -2.701 . 0.291 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.549 ' N2 ' ' N1 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C3'-C2'-C1' 104.068 2.853 . 0.463 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.546 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.203 0 O4'-C1'-N19 111.204 3.004 . 0.239 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.45 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.299 3.099 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.424 " O2'" " O4'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 O4'-C1'-N19 111.303 3.103 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.424 " O4'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 110.847 2.647 . 0.342 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.535 ' C2 ' ' C6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.008 0 O4'-C1'-N19 111.076 2.876 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C1'-N19 110.98 2.78 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.404 ' C2 ' ' O6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.904 0 O4'-C1'-N19 110.879 2.679 . 0.241 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.612 " O2'" ' P ' ' B' ' 43' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.545 1.88 0 O4'-C1'-N19 111.261 3.061 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.612 ' P ' " O2'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.915 0 P-O3'-C3' 123.072 2.81 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.544 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.609 1.632 0 C5'-C4'-C3' 111.588 -2.608 . 0.036 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.544 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 O4'-C1'-N19 111.054 2.854 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 0 O4'-C1'-N19 111.267 3.067 . 0.168 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 111.596 3.396 . 0.091 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.512 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.0 0 O4'-C1'-N19 111.063 2.863 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 O4'-C1'-N19 111.239 3.039 . 0.304 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 O4'-C1'-N19 111.099 2.899 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.2 85.87 8.63 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.075 -1.016 . . . . 0.0 109.473 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.96 143.91 21.01 Favored 'Trans proline' 0 C--N 1.322 -0.829 0 C-N-CA 121.794 1.662 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.35 172.78 13.33 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.034 -1.041 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -145.17 107.94 4.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.049 -1.032 . . . . 0.0 109.45 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.5 mtt85 -90.74 153.18 45.45 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.088 -1.007 . . . . 0.0 109.236 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.36 133.87 13.57 Favored 'Trans proline' 0 C--N 1.323 -0.814 0 C-N-CA 121.731 1.621 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.07 -171.93 2.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.04 -39.54 11.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -103.35 156.64 17.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.718 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.3 pt -116.55 161.13 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.157 -0.964 . . . . 0.0 108.775 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.536 ' CD2' ' N4 ' ' B' ' 43' ' ' ' C' . 70.8 t80 -128.01 149.44 50.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 109.721 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.28 146.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 108.847 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -145.86 -174.99 4.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.983 -1.073 . . . . 0.0 109.726 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 66.07 41.83 3.46 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.87 -1.144 . . . . 0.0 109.397 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.61 142.35 34.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.056 -1.027 . . . . 0.0 109.602 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -55.25 153.15 7.31 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.07 -1.019 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -99.78 59.04 1.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.883 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -152.35 37.17 0.53 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.975 -1.078 . . . . 0.0 109.927 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt -111.85 156.07 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.912 -1.118 . . . . 0.0 110.379 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -95.81 -177.76 4.15 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -82.7 -37.76 24.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.837 -1.164 . . . . 0.0 109.959 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.78 -22.72 58.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.068 -1.02 . . . . 0.0 109.619 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 2.8 tp10 -81.63 -42.58 19.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.711 -1.243 . . . . 0.0 110.064 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -75.19 -19.89 59.59 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 110.772 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -86.09 -32.78 21.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.568 -1.332 . . . . 0.0 109.533 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -75.62 -29.8 59.33 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.789 -1.195 . . . . 0.0 110.286 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 m -87.11 -34.92 18.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 39.3 mt -73.23 -56.06 5.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.715 -1.241 . . . . 0.0 109.615 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -53.35 -28.43 28.81 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.113 -0.992 . . . . 0.0 110.711 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -68.39 0.58 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.284 . . . . 0.0 109.921 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -59.28 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.129 -0.982 . . . . 0.0 112.28 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -61.79 -36.51 81.3 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.696 -1.252 . . . . 0.0 110.368 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -54.56 -34.84 62.56 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.776 -1.202 . . . . 0.0 110.573 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -46.28 69.96 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.615 -1.303 . . . . 0.0 109.952 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -55.06 -61.09 2.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.939 -1.101 . . . . 0.0 109.789 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.28 -133.45 2.21 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -110.97 136.4 50.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.026 -1.279 . . . . 0.0 109.448 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.2 mt -101.77 122.41 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.999 -1.063 . . . . 0.0 109.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -68.97 -39.8 79.24 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.016 -1.053 . . . . 0.0 109.498 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -175.63 153.3 1.42 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.41 157.21 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.095 -1.003 . . . . 0.0 108.756 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -133.94 133.95 42.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.91 -1.119 . . . . 0.0 110.006 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.91 122.55 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.024 . . . . 0.0 109.122 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.439 ' OG ' ' C2 ' ' B' ' 24' ' ' ' A' . 58.1 m -122.07 179.59 4.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -133.02 37.93 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.435 ' OG ' ' OP1' ' B' ' 25' ' ' ' G' . 82.4 p -92.39 -173.26 3.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.96 -1.087 . . . . 0.0 109.206 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -50.94 25.25 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.901 -1.124 . . . . 0.0 109.875 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.66 -38.28 90.46 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.969 -1.082 . . . . 0.0 109.967 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 59.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -118.55 124.29 47.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.949 -1.095 . . . . 0.0 109.271 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.21 38.27 30.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -160.99 161.6 31.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.97 -1.312 . . . . 0.0 110.168 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.19 35.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.996 -1.065 . . . . 0.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.95 144.86 39.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.401 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 t -135.09 106.39 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.957 -1.089 . . . . 0.0 109.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.79 121.56 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 109.453 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -95.45 142.85 27.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 0.0 109.231 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -50.61 -38.05 43.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.994 -1.066 . . . . 0.0 110.198 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 151.96 40.07 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.883 -1.136 . . . . 0.0 109.797 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.23 -37.58 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.072 -1.018 . . . . 0.0 109.541 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 p -60.45 -31.79 70.77 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.011 -1.056 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -35.16 79.48 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.679 -1.263 . . . . 0.0 110.522 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.5 50.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.777 -1.202 . . . . 0.0 109.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 m -63.32 -39.78 95.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.846 -1.158 . . . . 0.0 109.598 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -73.49 -37.19 65.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.028 -1.045 . . . . 0.0 109.33 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.51 -17.75 64.79 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.86 -1.15 . . . . 0.0 110.64 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 1.2 tp -87.89 -57.27 3.0 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.422 -1.423 . . . . 0.0 110.132 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -53.91 -40.42 66.67 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.942 -1.099 . . . . 0.0 110.147 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -36.7 70.26 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.015 -1.053 . . . . 0.0 109.989 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.57 35.33 2.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.93 93.89 3.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.887 -1.133 . . . . 0.0 108.725 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.62 62.93 2.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 162.54 42.67 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.054 -1.262 . . . . 0.0 109.584 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.55 135.65 14.85 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.833 1.689 . . . . 0.0 110.412 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 11.4 t80 -134.15 -59.99 0.82 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.144 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.1 m-85 -115.91 70.2 0.75 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.103 -0.998 . . . . 0.0 109.666 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 57.33 40.4 27.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.041 -1.037 . . . . 0.0 109.773 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.51 151.39 0.53 Allowed Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 120.935 -1.103 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.18 150.94 29.74 Favored 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.711 1.607 . . . . 0.0 109.848 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.78 139.12 17.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.956 -1.09 . . . . 0.0 110.296 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 141.59 35.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.207 -0.933 . . . . 0.0 108.873 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.4 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 54.7 mt -105.0 138.9 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.032 -1.042 . . . . 0.0 109.894 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.03 135.25 48.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 108.615 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 22.3 m-85 -49.89 132.53 22.61 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.877 -1.14 . . . . 0.0 109.974 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.46 173.43 0.05 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.024 -1.047 . . . . 0.0 109.68 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.46 -42.2 11.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.088 -1.007 . . . . 0.0 109.402 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -103.4 179.38 4.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.029 -1.045 . . . . 0.0 109.6 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -101.18 172.91 6.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.978 -1.077 . . . . 0.0 109.438 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.409 ' OG ' ' CG1' ' A' ' 93' ' ' ILE . 2.5 p -75.59 136.1 40.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.067 -1.021 . . . . 0.0 109.672 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.7 -28.3 36.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.09 -1.006 . . . . 0.0 110.285 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.1 -25.34 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.578 -1.326 . . . . 0.0 109.64 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.409 ' CG1' ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -71.19 -43.06 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.515 -1.365 . . . . 0.0 107.58 177.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.38 -34.52 48.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.191 -0.943 . . . . 0.0 110.227 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -75.88 -33.12 59.95 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.659 -1.275 . . . . 0.0 111.46 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.403 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.9 mmt -64.53 -37.41 87.45 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.193 -0.942 . . . . 0.0 109.725 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -50.81 -36.44 37.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.841 -1.162 . . . . 0.0 108.86 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.91 80.93 0.03 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.0 t 38.79 48.22 1.31 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.734 -0.863 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.98 95.39 1.17 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.984 -1.073 . . . . 0.0 109.149 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.086 -1.009 . . . . 0.0 109.146 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.738 0 O4'-C1'-N19 110.925 2.725 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 O4'-C1'-N19 111.085 2.885 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.401 " O2'" " O4'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.17 2.97 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.401 " O4'" " O2'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 110.994 2.794 . 0.102 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.427 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.058 2.858 . 0.333 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.427 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 O4'-C1'-N19 110.823 2.623 . 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.488 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 111.338 3.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.488 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.111 0 O4'-C1'-N19 111.592 3.392 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.022 2.822 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.307 0 O4'-C1'-N19 111.289 3.089 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.005 2.805 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C3'-C2'-C1' 104.125 2.916 . 0.469 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.472 ' N4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.036 0 C5'-C4'-C3' 111.553 -2.631 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.942 2.742 . 0.898 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.006 2.806 . 0.2 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.09 2.89 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.121 0 O4'-C1'-N19 111.162 2.962 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 O4'-C1'-N19 111.035 2.835 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.885 0 O4'-C1'-N19 111.003 2.803 . 0.453 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 O4'-C1'-N19 110.993 2.793 . 0.19 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.896 0 O4'-C1'-N19 110.839 2.639 . 0.012 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.44 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 110.817 2.617 . 0.069 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.809 0 O4'-C1'-N19 111.039 2.839 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.522 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C1'-N19 110.959 2.759 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.522 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 O4'-C1'-N19 110.992 2.792 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.095 0 O4'-C1'-N19 111.494 3.294 . 0.272 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 110.873 2.673 . 0.184 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.064 2.864 . 0.116 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O4'-C1'-N19 111.132 2.932 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 O4'-C1'-N19 110.806 2.606 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t -144.43 86.93 7.89 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.02 -1.05 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.58 111.74 3.2 Favored 'Trans proline' 0 C--N 1.323 -0.779 0 C-N-CA 121.82 1.68 . . . . 0.0 110.325 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.75 -37.49 22.58 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.036 -1.04 . . . . 0.0 109.98 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m -137.25 39.61 2.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.796 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.85 93.65 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.973 -1.079 . . . . 0.0 109.504 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.15 131.65 12.06 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 110.302 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -99.63 -170.74 1.94 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.007 -1.058 . . . . 0.0 109.313 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -101.39 33.94 2.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.896 -1.128 . . . . 0.0 110.042 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 85.2 m -167.98 127.03 1.25 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.89 -1.131 . . . . 0.0 109.965 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 23.8 pt -92.17 172.38 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.971 -1.081 . . . . 0.0 109.166 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -131.76 143.71 50.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.984 -1.073 . . . . 0.0 110.051 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -124.79 146.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 108.915 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.87 -179.12 5.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.061 -1.024 . . . . 0.0 109.841 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m120 57.23 50.2 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 0.0 109.903 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.6 mt -93.45 -177.74 4.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.937 -1.102 . . . . 0.0 109.251 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.8 150.25 22.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.754 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.29 38.69 2.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -115.36 -57.47 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.941 -1.099 . . . . 0.0 109.315 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CD1' ' CE2' ' A' ' 77' ' ' TYR . 3.6 mp -55.52 155.98 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.188 -0.945 . . . . 0.0 108.735 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.53 -168.53 1.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.54 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -83.97 -35.18 24.14 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.903 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -68.92 -38.01 79.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 6.4 mm-40 -72.27 -43.57 64.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.112 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -50.7 -44.39 58.03 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.109 -0.995 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -41.88 98.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.978 -1.076 . . . . 0.0 109.639 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.448 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' OG ' ' OH ' ' A' ' 77' ' ' TYR . 70.5 m -74.74 -50.49 17.23 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.659 -1.276 . . . . 0.0 110.639 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -56.44 -25.88 52.0 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.956 -1.09 . . . . 0.0 111.295 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -83.61 -31.93 26.0 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.558 -1.339 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.3 72.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.757 -1.214 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -85.68 -53.07 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.837 -1.165 . . . . 0.0 110.915 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 41.7 m-85 -67.96 -14.74 63.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.951 -1.093 . . . . 0.0 112.113 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 t -79.85 -34.71 39.08 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.286 -1.509 . . . . 0.0 110.751 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -49.36 -31.14 8.77 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.677 -1.265 . . . . 0.0 110.954 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -71.52 -56.88 5.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.649 -1.282 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.07 -123.37 1.1 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.77 141.76 50.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.996 -1.296 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.36 115.24 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.541 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.12 -42.36 90.39 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -176.74 159.04 1.75 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.37 122.36 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.023 -1.048 . . . . 0.0 109.137 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.18 130.02 44.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.971 -1.081 . . . . 0.0 109.784 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.91 160.71 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.021 -1.049 . . . . 0.0 108.624 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.0 m -127.51 114.88 18.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.915 -1.116 . . . . 0.0 109.764 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -97.93 -29.97 13.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.033 -1.042 . . . . 0.0 111.028 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -48.22 170.51 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.644 -1.285 . . . . 0.0 110.517 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -52.12 11.02 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.029 -1.044 . . . . 0.0 109.759 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -50.39 -37.19 36.2 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.958 -1.089 . . . . 0.0 110.16 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.6 mtp -113.42 57.35 0.68 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.979 -1.076 . . . . 0.0 109.052 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.2 ttt-85 -105.21 157.74 17.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 0.0 109.676 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.01 34.83 73.75 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -155.4 174.81 14.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.881 -1.364 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 171.86 11.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -131.57 130.31 42.09 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.004 -1.06 . . . . 0.0 108.932 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.34 141.54 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.88 -1.138 . . . . 0.0 109.653 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt -119.55 125.63 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 109.263 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.38 150.51 23.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.066 . . . . 0.0 109.532 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -61.68 -42.66 99.24 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.019 -1.051 . . . . 0.0 108.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.13 145.29 38.86 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.158 -0.964 . . . . 0.0 109.195 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.58 -37.52 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.992 -1.068 . . . . 0.0 109.793 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -33.19 70.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.992 -1.068 . . . . 0.0 110.396 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 m -60.34 -39.92 88.82 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.669 -1.269 . . . . 0.0 109.796 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.95 -27.34 61.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.929 -1.107 . . . . 0.0 109.58 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -68.01 -32.61 73.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.874 -1.141 . . . . 0.0 110.077 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.01 -39.04 43.39 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.716 -1.24 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.57 80.35 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.939 -1.101 . . . . 0.0 109.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -39.07 64.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.908 -1.12 . . . . 0.0 109.853 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.4 -8.55 56.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.929 -1.107 . . . . 0.0 111.465 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t -120.16 17.47 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.314 -1.491 . . . . 0.0 110.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.73 40.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.506 -1.371 . . . . 0.0 109.578 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.46 117.69 20.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.093 -1.005 . . . . 0.0 109.183 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.82 60.1 9.54 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -118.7 155.97 52.0 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.183 -1.186 . . . . 0.0 109.522 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.55 130.8 11.03 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.837 1.691 . . . . 0.0 110.147 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 16.3 t80 -125.83 -63.51 1.12 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.034 -1.041 . . . . 0.0 109.061 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m-85 -115.6 67.23 0.7 Allowed 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.129 -0.982 . . . . 0.0 109.436 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 59.28 40.96 20.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.549 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -176.45 155.9 1.43 Allowed Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.005 -1.06 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -77.88 142.85 20.3 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.827 1.685 . . . . 0.0 110.043 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.6 141.89 27.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 110.097 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -107.54 147.04 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.042 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.14 138.4 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.091 -1.006 . . . . 0.0 110.006 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 140.18 35.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 108.73 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -52.26 169.47 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.742 -1.224 . . . . 0.0 109.538 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.55 177.56 6.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.041 -1.037 . . . . 0.0 109.317 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -89.42 -45.85 9.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.03 -1.044 . . . . 0.0 109.4 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 p -103.9 179.27 4.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.273 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.6 m-20 -89.45 171.78 9.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.082 . . . . 0.0 109.343 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.35 144.7 39.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.024 -1.048 . . . . 0.0 109.235 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.47 -30.29 30.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 110.312 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 pp -56.6 -26.48 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.557 -1.34 . . . . 0.0 109.418 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -45.76 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.25 -34.65 47.02 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.34 -0.85 . . . . 0.0 110.211 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -65.4 -41.82 93.24 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.821 -1.174 . . . . 0.0 110.515 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.84 71.51 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.486 -0.759 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -51.78 -38.95 57.67 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.4 -63.91 0.04 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 175.67 51.71 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.167 -1.196 . . . . 0.0 110.02 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.35 80.28 7.53 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.959 -1.088 . . . . 0.0 108.866 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.33 -179.49 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 O4'-C1'-N19 110.954 2.754 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 O4'-C1'-N19 111.102 2.902 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.991 2.791 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.879 0 O4'-C1'-N19 111.206 3.006 . 0.448 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C3'-C2'-C1' 104.466 3.295 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.438 ' N2 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.6 3.4 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.531 ' C4 ' ' N4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.225 0 O4'-C1'-N19 111.167 2.967 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.531 ' N4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 110.974 2.774 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.493 ' N3 ' ' C2 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 110.837 2.637 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C3'-C2'-C1' 104.516 3.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . 0.437 ' OP2' ' N4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C3'-C2'-C1' 104.293 3.103 . 0.016 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.538 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C5'-C4'-C3' 111.52 -2.653 . 0.263 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.546 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C3'-C2'-C1' 104.157 2.952 . 0.447 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.546 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.044 2.844 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.494 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.951 0 O4'-C1'-N19 110.995 2.795 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.494 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 111.0 2.8 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.537 ' N4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.124 2.924 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.537 ' C6 ' ' N4 ' ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 O4'-C1'-N19 111.047 2.847 . 0.516 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 111.013 2.813 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.963 0 O4'-C1'-N19 110.87 2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.444 ' N1 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 C5'-C4'-C3' 111.52 -2.653 . 0.183 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.46 " O2'" ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.432 -1.712 0 O4'-C1'-N19 111.019 2.819 . 0.257 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.526 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.834 0 O4'-C1'-N19 110.965 2.765 . 0.165 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.526 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-C3' 111.6 -2.6 . 0.296 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.055 2.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.035 0 O4'-C1'-N19 111.449 3.249 . 0.583 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.926 2.726 . 0.129 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.351 3.151 . 0.324 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 110.912 2.712 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.0 t -141.96 85.19 11.25 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 120.965 -1.084 . . . . 0.0 109.508 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.06 86.79 1.6 Allowed 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.838 1.692 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.45 155.31 36.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.019 -1.051 . . . . 0.0 109.437 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.75 82.85 2.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 109.532 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.78 158.62 74.35 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.441 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -77.82 148.56 25.48 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.736 1.624 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.06 -69.83 0.53 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.836 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.51 -45.57 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.9 m -103.23 129.5 50.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.538 -0.726 . . . . 0.0 109.553 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 pt -89.81 164.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.132 -0.98 . . . . 0.0 108.992 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -138.02 117.41 12.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -91.31 155.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.027 -1.046 . . . . 0.0 109.424 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -142.6 175.71 9.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.97 -1.081 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 58.91 55.83 4.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 0.0 109.377 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.62 -174.21 2.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.074 -1.016 . . . . 0.0 109.305 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -91.71 152.38 20.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.004 -1.06 . . . . 0.0 108.942 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.45 39.25 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.0 110.072 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -148.57 33.88 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.985 -1.072 . . . . 0.0 110.223 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.9 mm -103.36 153.84 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.882 -1.136 . . . . 0.0 109.79 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -86.83 -176.16 5.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 108.653 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -87.64 -39.74 14.78 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.904 -1.123 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.67 -29.16 58.97 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 43.2 mm-40 -72.15 -47.53 50.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.127 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.05 -33.06 74.93 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.883 -1.136 . . . . 0.0 110.481 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.83 -23.75 58.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.81 -1.181 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -78.76 -32.97 46.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.506 -1.371 . . . . 0.0 109.955 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -76.7 -38.24 54.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.754 -1.216 . . . . 0.0 110.227 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.98 -41.07 71.48 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.907 -1.121 . . . . 0.0 109.717 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.79 -32.11 65.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.1 -1.0 . . . . 0.0 110.246 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.03 -69.22 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.892 -1.13 . . . . 0.0 110.173 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -61.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 112.353 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -61.64 -32.27 72.42 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.706 -1.246 . . . . 0.0 111.136 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -60.78 -33.36 72.85 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.616 -1.302 . . . . 0.0 110.592 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -48.02 -36.96 13.75 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.729 -1.232 . . . . 0.0 110.932 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.08 71.22 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.946 -1.096 . . . . 0.0 110.194 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.67 -151.83 19.03 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -123.23 149.07 45.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.086 -1.243 . . . . 0.0 109.399 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.0 mt -99.56 130.56 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.08 -1.012 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.68 -41.44 23.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.001 -1.062 . . . . 0.0 109.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -166.52 157.44 12.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.095 -1.003 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.24 121.81 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 0.0 109.034 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.85 130.69 48.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.054 -1.029 . . . . 0.0 109.991 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.89 136.53 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.131 -0.98 . . . . 0.0 108.881 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 22.7 t -133.47 159.97 38.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.961 -1.087 . . . . 0.0 109.973 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -129.76 38.35 3.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.004 . . . . 0.0 109.623 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -89.17 166.52 13.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.928 -1.107 . . . . 0.0 108.83 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -40.83 76.25 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.879 -1.138 . . . . 0.0 109.663 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -72.84 -39.9 66.16 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.06 -1.025 . . . . 0.0 109.66 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.93 56.64 1.72 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.96 -1.088 . . . . 0.0 109.394 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' ' N1 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -109.68 129.29 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.97 -1.081 . . . . 0.0 109.459 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.94 41.11 41.98 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -162.11 153.47 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.03 -1.276 . . . . 0.0 110.028 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.2 170.43 15.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.001 -1.062 . . . . 0.0 109.801 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 89.6 m-85 -130.08 134.9 47.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.089 -1.007 . . . . 0.0 109.19 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.8 t -130.26 148.34 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.965 -1.085 . . . . 0.0 109.525 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 92' ' ' ILE . 9.8 mt -125.48 146.95 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.105 -0.997 . . . . 0.0 108.907 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -119.88 154.36 34.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.996 -1.065 . . . . 0.0 109.522 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -53.11 -40.64 64.32 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.007 -1.058 . . . . 0.0 109.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.44 177.03 6.41 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.134 -0.979 . . . . 0.0 109.492 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.84 -37.51 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.044 -1.035 . . . . 0.0 109.817 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.3 p -59.64 -35.9 75.32 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.971 -1.081 . . . . 0.0 110.285 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -59.39 -37.99 79.37 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.85 -1.156 . . . . 0.0 110.199 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.91 61.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.881 -1.137 . . . . 0.0 109.524 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.916 -1.115 . . . . 0.0 109.388 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.66 -42.49 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.982 -1.074 . . . . 0.0 108.862 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.28 46.25 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.086 -1.008 . . . . 0.0 110.203 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.47 -37.72 36.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.74 -1.225 . . . . 0.0 109.801 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -94.57 56.2 2.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.863 -1.148 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 m -154.11 -58.38 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.138 -0.977 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 80.6 mtp -106.38 37.58 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.074 -1.016 . . . . 0.0 109.458 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.75 98.95 0.06 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.94 -1.1 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.17 62.67 1.79 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -112.44 163.56 17.51 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.205 -1.174 . . . . 0.0 109.893 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.66 124.45 6.32 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.916 1.744 . . . . 0.0 110.766 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.85 109.84 7.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.993 -1.067 . . . . 0.0 108.77 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.45 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 71.4 m-85 72.81 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 117.859 0.299 . . . . 0.0 110.419 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -154.9 47.59 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.572 -1.33 . . . . 0.0 110.355 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 179.84 153.44 0.62 Allowed Pre-proline 0 N--CA 1.5 2.055 0 O-C-N 120.98 -1.075 . . . . 0.0 110.2 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.03 146.75 25.98 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.728 1.618 . . . . 0.0 109.986 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -139.33 127.61 22.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.908 -1.12 . . . . 0.0 110.269 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -94.99 153.87 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.91 135.48 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.019 . . . . 0.0 110.84 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -145.08 136.33 25.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -46.83 167.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.962 -1.087 . . . . 0.0 110.928 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.56 -169.71 2.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.159 -0.963 . . . . 0.0 109.424 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 9.1 mmtp -90.89 -46.7 8.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.968 -1.083 . . . . 0.0 109.061 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -124.97 -179.39 4.53 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.46 -176.01 4.03 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -99.35 153.55 18.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.939 -1.101 . . . . 0.0 109.679 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -76.14 -28.63 57.48 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.038 -1.039 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 33.6 pt -60.26 -23.45 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.649 -1.282 . . . . 0.0 109.48 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -74.84 -39.16 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.597 -1.314 . . . . 0.0 107.789 178.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.41 58.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -77.81 -30.8 51.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.749 -1.219 . . . . 0.0 111.472 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.407 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.4 mmt -66.35 -28.03 68.34 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.067 -1.021 . . . . 0.0 110.341 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.44 -34.72 7.57 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.775 -1.203 . . . . 0.0 109.09 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.69 -49.7 0.21 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.7 t 179.13 59.16 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.16 -1.2 . . . . 0.0 110.151 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -57.39 98.79 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.932 -1.105 . . . . 0.0 109.35 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 121.073 -1.017 . . . . 0.0 109.157 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-C3' 111.509 -2.661 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.919 0 O4'-C1'-N19 110.963 2.763 . 0.096 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.52 ' N3 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 O4'-C1'-N19 111.134 2.934 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.52 ' C6 ' ' N3 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 110.965 2.765 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.514 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.208 3.008 . 0.297 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.514 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 110.861 2.661 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 O4'-C1'-N19 111.75 3.55 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.211 0 O4'-C1'-N19 111.7 3.5 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 110.964 2.764 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.791 2.591 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.441 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 O4'-C1'-N19 111.207 3.007 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 C3'-C2'-C1' 104.172 2.968 . 0.298 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.441 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.04 0 C5'-C4'-C3' 111.684 -2.544 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 110.915 2.715 . 0.899 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.113 0 O4'-C1'-N19 111.1 2.9 . 0.64 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.524 ' C6 ' ' C6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.115 2.915 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.524 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 O4'-C1'-N19 111.079 2.879 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 110.969 2.769 . 0.377 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.526 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.886 0 O4'-C1'-N19 110.979 2.779 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.526 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 O4'-C1'-N19 111.276 3.076 . 0.388 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.787 0 O4'-C1'-N19 110.829 2.629 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.447 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.075 0 O4'-C1'-N19 110.851 2.651 . 0.047 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.79 0 C5'-C4'-C3' 111.574 -2.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.537 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 111.5 -2.667 . 0.264 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.537 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 O4'-C1'-N19 111.198 2.998 . 0.275 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.175 2.975 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.288 0 O4'-C1'-N19 110.783 2.583 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 111.087 2.887 . 0.238 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 O4'-C1'-N19 111.078 2.878 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 110.823 2.623 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -115.5 85.91 14.27 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.065 -1.022 . . . . 0.0 109.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -77.89 124.84 7.0 Favored 'Trans proline' 0 C--N 1.324 -0.761 0 C-N-CA 121.87 1.713 . . . . 0.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -58.23 -179.18 0.05 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.964 -1.085 . . . . 0.0 109.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 115.8 15.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 109.413 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.36 136.37 24.4 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.986 -1.071 . . . . 0.0 108.856 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.63 152.57 29.57 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 121.49 1.46 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -135.97 -66.71 0.54 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.174 -0.954 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.44 -45.03 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.291 -0.881 . . . . 0.0 108.674 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -106.17 157.74 17.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.444 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 31.8 pt -116.15 163.68 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -122.74 120.05 32.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.136 -0.977 . . . . 0.0 110.554 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.66 137.33 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.037 -1.039 . . . . 0.0 108.498 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -133.44 160.89 36.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 109.648 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.15 49.42 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.141 . . . . 0.0 109.311 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -85.07 -174.98 5.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.178 -0.951 . . . . 0.0 108.982 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 157.84 20.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.88 40.55 1.36 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -154.3 40.72 0.48 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.425 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -102.02 154.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 108.875 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -115.72 31.17 6.88 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.097 -1.041 . . . . 0.0 112.471 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.75 -73.28 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 O-C-N 121.422 -0.799 . . . . 0.0 112.07 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.27 -27.48 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.624 -1.298 . . . . 0.0 109.364 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 5.1 tt0 -71.14 -41.93 69.82 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.31 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.24 -20.71 63.95 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.027 -1.046 . . . . 0.0 111.377 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -86.25 -28.9 23.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.531 -1.356 . . . . 0.0 110.101 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -77.57 -29.7 52.27 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.005 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.8 m -87.59 -37.51 16.76 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.794 -1.191 . . . . 0.0 110.221 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.96 -53.77 12.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.857 -1.152 . . . . 0.0 109.488 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -53.35 -27.86 25.75 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.213 -0.929 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.19 -69.89 0.54 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.681 -1.262 . . . . 0.0 110.172 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.92 -60.07 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.031 -1.043 . . . . 0.0 112.017 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CE2' ' CD1' ' A' ' 32' ' ' ILE . 87.8 m-85 -59.28 -36.91 76.41 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.786 -1.196 . . . . 0.0 110.601 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -54.42 -37.92 65.67 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.783 -1.198 . . . . 0.0 110.449 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -51.19 -45.91 61.96 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.74 -1.225 . . . . 0.0 110.341 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -57.28 -59.67 4.78 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.077 -1.015 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 -126.95 1.63 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.68 138.01 54.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.298 . . . . 0.0 109.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -101.35 126.11 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 0.0 109.23 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tp -78.08 -40.48 38.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.038 -1.038 . . . . 0.0 109.509 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.73 141.86 0.87 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.082 -1.012 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mt -113.64 128.67 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.444 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -100.41 127.58 46.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.067 -1.021 . . . . 0.0 109.637 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.94 134.14 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 163.42 25.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.834 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -135.92 40.03 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 109.557 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 p -91.53 162.05 14.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 109.379 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.94 -38.88 73.54 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.988 -1.07 . . . . 0.0 110.005 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -75.86 -37.47 58.9 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.889 -1.132 . . . . 0.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtp -104.41 60.47 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.908 -1.12 . . . . 0.0 109.323 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 8.1 mtt-85 -109.83 139.79 44.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.038 -1.039 . . . . 0.0 109.567 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.78 37.58 84.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -166.03 142.38 5.08 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.939 -1.33 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.57 -171.23 3.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.977 -1.077 . . . . 0.0 109.887 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 27.8 m-85 -140.42 142.37 35.44 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.65 109.21 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.944 -1.098 . . . . 0.0 109.404 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mt -89.99 133.99 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.963 -1.086 . . . . 0.0 109.556 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.02 137.57 51.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.154 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -49.49 -38.25 29.39 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.079 -1.013 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -112.8 153.46 27.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.005 -1.059 . . . . 0.0 109.359 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.39 -37.28 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.954 -1.091 . . . . 0.0 109.761 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 p -60.57 -29.87 69.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.985 -1.072 . . . . 0.0 110.492 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -35.03 79.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.14 56.85 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.739 -1.225 . . . . 0.0 109.677 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 m -70.23 -31.24 68.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -78.76 -38.68 38.03 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.788 -1.195 . . . . 0.0 109.37 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.11 69.8 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.935 -1.103 . . . . 0.0 110.425 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -35.63 25.94 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.691 -1.255 . . . . 0.0 110.555 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -65.69 -36.87 84.86 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.866 -1.146 . . . . 0.0 110.465 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -85.29 -29.59 24.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.966 -1.084 . . . . 0.0 110.776 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.57 36.58 2.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.727 -1.233 . . . . 0.0 109.928 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.02 93.62 5.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.95 -1.094 . . . . 0.0 109.104 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.11 61.13 2.05 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -127.14 161.7 52.51 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.065 -1.256 . . . . 0.0 109.404 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.1 139.32 16.96 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.844 1.696 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 43.9 t80 -135.03 -60.89 0.76 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.007 -1.058 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.532 ' CE1' ' CE2' ' A' ' 76' ' ' PHE . 2.0 m-85 -113.51 66.61 0.66 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.08 -1.013 . . . . 0.0 109.82 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.9 42.21 13.3 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.997 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.42 154.79 0.53 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.882 -1.136 . . . . 0.0 110.217 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.78 148.45 25.48 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.932 1.755 . . . . 0.0 109.993 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -155.03 138.87 16.24 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.947 -1.096 . . . . 0.0 110.374 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -108.75 147.62 31.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.083 -1.01 . . . . 0.0 108.889 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.6 mt -116.32 146.3 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.044 . . . . 0.0 110.37 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -142.23 139.54 32.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 108.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -45.92 138.94 4.61 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.058 -1.026 . . . . 0.0 110.792 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.57 -171.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -81.78 -49.64 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.954 -1.092 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 p -119.56 179.62 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.974 -1.079 . . . . 0.0 109.833 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 18.4 m-20 -73.04 -173.03 1.16 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.083 -1.01 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -95.82 157.48 15.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.23 -31.03 17.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.09 -1.006 . . . . 0.0 110.35 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 pt -57.52 -28.55 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.659 -1.276 . . . . 0.0 110.624 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.9 mp -80.77 -30.84 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.304 0 O-C-N 120.455 -1.403 . . . . 0.0 109.307 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.04 -30.83 11.58 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.61 -1.306 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -92.11 -26.8 18.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.689 -1.257 . . . . 0.0 111.8 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.407 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.9 mmt -66.6 -29.01 68.97 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.96 -1.088 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -48.25 -34.62 10.6 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.751 -1.218 . . . . 0.0 108.91 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.26 -52.48 0.2 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 t 178.97 50.12 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.069 -1.254 . . . . 0.0 110.191 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.2 t80 44.8 75.8 0.1 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.1 -1.0 . . . . 0.0 111.089 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.5 2.052 0 O-C-N 121.0 -1.062 . . . . 0.0 110.158 -179.729 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 O4'-C1'-N19 110.93 2.73 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.051 2.851 . 0.365 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O4'-C1'-N19 111.005 2.805 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 O4'-C1'-N19 110.918 2.718 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.102 0 O4'-C1'-N19 111.047 2.847 . 0.145 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C5'-C4'-C3' 111.642 -2.572 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.532 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 104.58 3.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.532 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.697 3.497 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.424 ' C4 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 110.944 2.744 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.426 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.858 2.658 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.443 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.065 2.865 . 0.048 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C3'-C2'-C1' 104.196 2.996 . 0.434 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.443 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.095 0 C5'-C4'-C3' 111.613 -2.591 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.896 2.696 . 0.891 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 O4'-C1'-N19 110.999 2.799 . 0.551 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.421 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 O4'-C1'-N19 111.053 2.853 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.421 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 O4'-C1'-N19 111.078 2.878 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.441 ' N3 ' ' O6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.042 2.842 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.466 ' N1 ' ' NE ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 O4'-C1'-N19 110.977 2.777 . 0.124 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.116 0 O4'-C1'-N19 111.45 3.25 . 0.444 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.84 0 O4'-C1'-N19 110.991 2.791 . 0.041 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.438 ' C4 ' ' O ' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 110.924 2.724 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.943 0 O4'-C1'-N19 110.815 2.615 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C2 ' ' C2 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.746 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C2 ' ' C2 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C1'-N19 110.989 2.789 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.272 3.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 111.346 3.146 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.044 2.844 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.112 0 O4'-C1'-N19 111.212 3.012 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 110.835 2.635 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -148.64 63.54 7.12 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.094 -1.004 . . . . 0.0 109.559 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.87 -171.14 1.11 Allowed 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.852 1.701 . . . . 0.0 110.408 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -56.23 174.24 0.14 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.983 -1.073 . . . . 0.0 109.542 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -101.19 103.88 14.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.021 -1.05 . . . . 0.0 109.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -57.64 157.68 13.61 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.99 -1.069 . . . . 0.0 109.365 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.37 119.41 4.93 Favored 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.792 1.661 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -100.67 -175.84 3.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.025 . . . . 0.0 109.547 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -90.99 -39.39 12.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.065 -1.022 . . . . 0.0 109.629 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.5 m -104.85 140.35 38.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.928 -1.107 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.439 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.3 pt -97.24 168.23 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.992 . . . . 0.0 109.084 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.427 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 30.8 t80 -142.15 122.93 14.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.106 -0.996 . . . . 0.0 109.084 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.2 153.19 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.011 -1.056 . . . . 0.0 109.242 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -142.1 173.12 11.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.982 -1.074 . . . . 0.0 109.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.38 53.22 5.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.991 -1.068 . . . . 0.0 109.222 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.27 -174.58 3.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.996 -1.065 . . . . 0.0 109.54 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -85.82 149.54 25.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.989 -1.069 . . . . 0.0 109.419 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -102.35 38.43 1.69 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.065 -1.022 . . . . 0.0 109.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -151.74 36.56 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.934 -1.104 . . . . 0.0 109.988 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 6.7 mm -103.52 158.92 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.042 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -83.5 179.99 7.5 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -83.29 -41.91 17.75 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 108.899 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.96 -16.38 60.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.137 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tp10 -81.7 -43.19 18.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.665 -1.272 . . . . 0.0 110.219 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.59 -38.21 77.23 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 118.602 -1.239 . . . . 0.0 109.876 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.13 -29.96 63.26 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.895 -1.128 . . . . 0.0 110.568 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -75.62 -26.81 58.12 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.691 -1.256 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -36.2 24.14 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.66 -41.61 71.88 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.839 -1.163 . . . . 0.0 109.241 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -65.17 -28.25 69.27 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.065 -1.022 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.6 -69.78 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.635 -1.29 . . . . 0.0 109.655 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -59.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.985 -1.072 . . . . 0.0 111.712 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 52.8 m-85 -58.7 -32.85 69.54 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.693 -1.254 . . . . 0.0 111.263 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -63.18 -34.69 78.18 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.657 -1.277 . . . . 0.0 111.151 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -49.96 -30.46 10.45 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.627 -1.295 . . . . 0.0 111.07 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CZ ' ' OG ' ' A' ' 70' ' ' SER . 38.2 m-85 -81.05 -51.8 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.735 -1.228 . . . . 0.0 109.381 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 -175.7 26.06 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.89 143.81 39.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.069 -1.254 . . . . 0.0 109.491 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.6 mt -104.47 117.18 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 109.274 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.52 -42.88 88.73 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.036 -1.04 . . . . 0.0 109.587 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.51 163.39 5.43 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.108 -0.995 . . . . 0.0 110.525 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.4 mt -139.4 139.05 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.195 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -124.87 145.95 49.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.932 -1.105 . . . . 0.0 109.694 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.45 129.77 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.115 -0.991 . . . . 0.0 109.367 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -100.64 164.46 11.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.997 -1.064 . . . . 0.0 109.697 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -150.03 37.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 110.107 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 p -92.5 170.22 9.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.95 -1.094 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -49.34 75.79 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.864 -1.148 . . . . 0.0 109.605 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' O ' ' C4 ' ' B' ' 42' ' ' ' G' . 4.2 mmtm -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.063 -1.023 . . . . 0.0 109.868 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 mtp -108.93 65.5 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.868 -1.145 . . . . 0.0 109.703 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' NE ' ' N1 ' ' B' ' 39' ' ' ' A' . 6.9 mtt-85 -99.14 49.86 0.95 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.119 . . . . 0.0 109.669 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.22 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 3.4 pt20 -157.51 175.77 13.52 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.008 -1.289 . . . . 0.0 110.084 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.96 20.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.9 -1.125 . . . . 0.0 110.451 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 48.9 m-85 -132.92 133.3 43.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 109.23 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.04 139.18 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.007 -1.058 . . . . 0.0 109.685 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mt -114.68 119.68 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.963 -1.086 . . . . 0.0 109.061 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -96.15 155.65 16.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.965 -1.084 . . . . 0.0 109.529 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -54.79 -38.95 67.91 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.981 -1.074 . . . . 0.0 109.909 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -133.91 164.12 28.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.968 -1.082 . . . . 0.0 109.854 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.95 -36.36 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.112 -0.993 . . . . 0.0 109.843 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 p -61.95 -38.4 88.36 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.021 -1.049 . . . . 0.0 109.817 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -58.12 -33.61 69.32 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -30.26 50.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.792 -1.192 . . . . 0.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -62.1 -44.6 96.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.899 -1.126 . . . . 0.0 109.614 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -42.14 72.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.985 -1.072 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.83 -25.97 57.27 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.999 -1.063 . . . . 0.0 110.802 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 -31.42 17.64 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.553 -1.342 . . . . 0.0 111.108 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -67.73 -57.53 6.19 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.716 -1.24 . . . . 0.0 109.623 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 59.8 p -64.55 -30.43 71.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.152 -0.968 . . . . 0.0 110.647 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -100.62 32.84 2.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.643 -1.285 . . . . 0.0 110.563 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -77.09 102.23 6.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.844 -1.16 . . . . 0.0 108.269 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.75 71.17 1.08 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.436 ' CE1' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -116.65 172.51 3.79 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.081 -1.246 . . . . 0.0 110.014 -179.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.38 144.23 20.22 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 121.957 1.771 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -157.58 101.54 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.441 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.459 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 84.1 m-85 60.17 51.21 5.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.933 . . . . 0.0 109.933 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 t70 55.3 63.73 2.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.0 110.247 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -178.84 137.69 0.34 Allowed Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 120.907 -1.121 . . . . 0.0 110.243 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.99 132.84 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 C-N-CA 121.539 1.493 . . . . 0.0 109.947 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -139.52 132.38 29.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.994 -1.066 . . . . 0.0 110.151 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 -96.69 151.4 19.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 0.0 108.61 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.8 mt -109.6 136.1 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.035 . . . . 0.0 110.379 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -130.71 140.18 50.33 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -50.61 173.99 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.828 -1.17 . . . . 0.0 110.095 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 179.24 5.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.643 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.19 -38.7 16.15 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.072 -1.017 . . . . 0.0 109.685 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.6 p -136.73 179.72 6.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.904 -1.123 . . . . 0.0 110.035 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.53 179.96 2.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.166 -0.959 . . . . 0.0 109.432 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 171.38 9.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.025 -1.047 . . . . 0.0 109.554 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.54 -29.96 25.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.074 -1.016 . . . . 0.0 110.205 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -63.8 -21.84 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.703 -1.248 . . . . 0.0 109.153 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -75.56 -34.61 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 120.571 -1.331 . . . . 0.0 108.103 178.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.82 63.49 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.076 -1.015 . . . . 0.0 110.431 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -89.22 -17.67 28.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.54 -1.35 . . . . 0.0 112.567 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.9 mmt -67.07 -26.81 66.92 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.835 -1.166 . . . . 0.0 110.496 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -47.82 -34.4 8.62 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 120.672 -1.268 . . . . 0.0 109.048 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.53 -51.37 0.21 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.5 t -177.9 48.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.089 -1.242 . . . . 0.0 110.292 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 42.73 56.84 3.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.196 -0.94 . . . . 0.0 111.216 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.499 2.013 0 O-C-N 120.978 -1.076 . . . . 0.0 110.303 -179.8 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C3'-C2'-C1' 104.187 2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.936 0 O4'-C1'-N19 111.018 2.818 . 0.015 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O4'-C1'-N19 110.981 2.781 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.537 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 110.947 2.747 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.481 ' C6 ' ' C5 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.18 2.98 . 0.374 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.481 ' C5 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C3'-C2'-C1' 104.668 3.52 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.538 ' C6 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 104.34 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.214 0 O4'-C1'-N19 111.066 2.866 . 0.141 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.475 3.275 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.019 2.819 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.445 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C3'-C2'-C1' 104.507 3.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C3'-C2'-C1' 104.22 3.022 . 0.034 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.552 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.963 0 C5'-C4'-C3' 111.606 -2.596 . 0.441 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.552 ' N2 ' ' N1 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C3'-C2'-C1' 104.056 2.84 . 0.427 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.547 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.25 0 O4'-C1'-N19 111.088 2.888 . 0.219 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.409 ' N1 ' ' C5 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.212 3.012 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.409 ' C5 ' ' N1 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C3'-C2'-C1' 104.203 3.003 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O4'-C1'-N19 110.909 2.709 . 0.228 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.545 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C5'-C4'-C3' 111.565 -2.623 . 0.303 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.545 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 111.441 3.241 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.439 " O2'" ' OP1' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C3'-C2'-C1' 104.098 2.887 OUTLIER-EPSILON 0.06 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.439 ' C4 ' ' O ' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.43 -1.91 0 O4'-C1'-N19 110.915 2.715 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.412 " O2'" ' OP2' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.878 0 O4'-C1'-N19 110.838 2.638 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.543 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.612 1.888 0 O4'-C1'-N19 111.046 2.846 . 0.019 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.543 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.586 -2.609 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.378 3.178 . 0.243 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 110.95 2.75 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.537 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.193 2.993 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.037 2.837 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C5'-C4'-C3' 111.74 -2.507 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.7 156.04 80.52 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.036 -1.04 . . . . 0.0 109.523 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.23 178.75 7.2 Favored 'Trans proline' 0 C--N 1.322 -0.823 0 C-N-CA 121.787 1.658 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -57.87 -178.2 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.012 -1.055 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -56.05 103.5 0.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -94.55 139.88 22.47 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 120.954 -1.092 . . . . 0.0 109.19 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.14 110.63 3.05 Favored 'Trans proline' 0 C--N 1.326 -0.634 0 C-N-CA 121.456 1.437 . . . . 0.0 110.169 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.31 -176.98 4.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.128 -0.982 . . . . 0.0 109.5 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -38.09 54.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 109.621 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -103.32 156.28 17.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.931 -1.106 . . . . 0.0 110.102 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 pt -119.72 146.91 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.0 108.856 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -121.66 119.91 33.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 0.0 109.265 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mt -100.4 150.02 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 109.08 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -129.43 174.23 9.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.074 . . . . 0.0 109.69 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.4 t30 59.29 56.56 3.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.067 -1.021 . . . . 0.0 109.333 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ASN . 7.7 mp -101.32 43.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.965 -1.084 . . . . 0.0 109.742 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . 30.2 t30 56.29 162.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.126 -0.984 . . . . 0.0 111.023 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.49 50.18 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.948 . . . . 0.0 109.461 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -153.08 37.89 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.974 -1.079 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 14.9 mm -91.47 154.1 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.061 -1.024 . . . . 0.0 109.449 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.84 28.44 7.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 111.189 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.4 -79.65 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.525 -0.734 . . . . 0.0 111.818 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -26.26 63.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.398 -1.439 . . . . 0.0 108.92 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.4 -41.86 88.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.013 -1.054 . . . . 0.0 109.795 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.81 -23.01 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.838 -1.164 . . . . 0.0 111.18 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -79.57 -32.76 42.07 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.512 -1.367 . . . . 0.0 110.149 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -35.63 66.05 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.883 -1.135 . . . . 0.0 109.863 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 15.6 m -74.39 -38.16 63.21 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.863 -1.148 . . . . 0.0 109.932 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.77 -34.24 77.4 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.921 -1.112 . . . . 0.0 110.358 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CB ' ' A' ' 34' ' ' SER . 1.9 t-80 -71.77 -19.03 62.08 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.854 -1.154 . . . . 0.0 111.605 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -52.12 5.22 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.336 -1.477 . . . . 0.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -59.75 -48.5 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 110.569 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -92.13 29.26 1.67 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.975 -1.078 . . . . 0.0 112.44 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.4 t -110.66 -54.33 2.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.491 -1.381 . . . . 0.0 109.667 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.19 -34.64 10.38 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.939 -1.101 . . . . 0.0 110.675 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -56.89 -58.21 9.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.805 -1.185 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -107.59 0.35 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -139.85 137.79 35.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.055 -1.262 . . . . 0.0 109.237 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.63 115.55 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.996 -1.065 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -40.5 80.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.063 -1.023 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -171.23 150.03 2.9 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.041 -1.037 . . . . 0.0 110.414 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.4 mt -125.55 114.49 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.978 . . . . 0.0 109.206 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.29 143.43 26.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.07 -1.019 . . . . 0.0 109.719 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.84 131.51 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.073 -1.017 . . . . 0.0 109.039 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -108.11 135.77 48.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 109.825 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -118.83 39.37 3.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 109.559 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -99.61 166.51 11.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.995 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.44 -47.36 84.24 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.923 -1.111 . . . . 0.0 109.5 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' ' C4 ' ' B' ' 42' ' ' ' G' . 9.4 mttt -55.82 -39.74 71.79 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.077 . . . . 0.0 109.686 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -113.86 67.8 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.991 -1.068 . . . . 0.0 109.476 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.02 48.17 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.032 -1.042 . . . . 0.0 109.431 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.86 56.27 0.01 OUTLIER Glycine 0 N--CA 1.497 2.723 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.83 178.47 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.056 -1.261 . . . . 0.0 109.474 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.72 156.87 37.17 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.284 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 31.4 m-85 -127.41 117.6 22.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.115 -0.991 . . . . 0.0 108.881 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.27 105.94 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.882 -1.137 . . . . 0.0 109.673 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 mt -99.76 124.62 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.988 . . . . 0.0 108.911 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CD1' ' CB ' ' A' ' 64' ' ' ALA . 88.6 m-85 -92.32 152.48 19.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -50.08 -39.89 43.78 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.018 -1.051 . . . . 0.0 109.671 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.62 149.77 41.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.054 -1.029 . . . . 0.0 109.178 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.61 -30.84 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.993 -1.067 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.18 86.29 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.752 -1.218 . . . . 0.0 109.564 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -58.68 -32.97 69.62 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.844 -1.16 . . . . 0.0 110.223 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 58' ' ' PHE . . . -78.53 -29.73 46.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.733 -1.229 . . . . 0.0 109.701 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -62.39 -37.18 84.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.806 -1.184 . . . . 0.0 110.063 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -81.44 -37.08 28.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.9 -1.125 . . . . 0.0 109.893 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.55 -26.6 68.05 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.775 -1.203 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.08 -37.19 12.28 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.566 -1.334 . . . . 0.0 110.184 -179.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -57.34 -38.09 73.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.887 -1.133 . . . . 0.0 109.936 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -83.07 -31.18 27.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.926 -1.109 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mtp -102.22 35.83 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.693 -1.255 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.47 92.41 5.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.94 -1.1 . . . . 0.0 109.058 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.86 62.9 1.49 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.0 162.89 44.99 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 120.965 -1.315 . . . . 0.0 109.56 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.43 145.53 21.15 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.894 1.729 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 7.0 t80 -131.75 -60.05 0.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.139 -0.976 . . . . 0.0 109.408 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.445 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 3.9 m-85 -119.51 69.07 0.82 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.087 -1.008 . . . . 0.0 109.33 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 60.55 42.59 13.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 109.584 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.03 147.88 1.07 Allowed Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 120.939 -1.1 . . . . 0.0 110.071 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.27 146.57 22.44 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.697 1.598 . . . . 0.0 110.257 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -152.75 139.41 18.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.976 -1.077 . . . . 0.0 110.118 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -99.2 148.67 23.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 108.988 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 51.2 mt -110.87 141.93 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 110.184 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -138.93 135.05 34.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 108.518 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -48.99 143.32 5.67 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.998 -1.064 . . . . 0.0 110.56 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.29 -176.38 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.067 -1.021 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -92.67 -48.95 6.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 109.527 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.2 p -108.88 179.4 4.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.081 -1.012 . . . . 0.0 109.44 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.432 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 6.4 m-20 -86.63 174.44 8.88 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.287 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 p -100.29 151.18 21.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.073 -1.017 . . . . 0.0 109.682 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.06 -1.92 54.0 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.983 . . . . 0.0 111.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 pt -68.41 -28.8 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.175 -1.578 . . . . 0.0 109.794 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 93' ' ' ILE . 1.8 mp -79.3 -19.78 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.174 177.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.15 78.28 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.566 -1.333 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -84.62 -14.26 49.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.844 -1.16 . . . . 0.0 112.071 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 30.7 mmt -78.64 -39.67 36.41 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.801 -1.187 . . . . 0.0 109.278 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -52.12 -35.22 47.53 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.814 -1.179 . . . . 0.0 108.603 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.72 75.38 0.02 OUTLIER Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t 39.93 74.75 0.09 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.658 -0.907 . . . . 0.0 111.171 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.76 87.84 6.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 109.138 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 O4'-C1'-N19 110.971 2.771 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.055 0 O4'-C1'-N19 111.045 2.845 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 110.889 2.689 . 0.178 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.475 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 O4'-C1'-N19 110.877 2.677 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.441 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.948 0 O4'-C1'-N19 111.057 2.857 . 0.522 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.528 ' C5 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C5'-C4'-C3' 111.546 -2.636 . 0.022 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 O4'-C1'-N19 111.42 3.22 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 O4'-C1'-N19 111.436 3.236 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 O4'-C1'-N19 110.941 2.741 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 110.889 2.689 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.434 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 111.125 2.925 . 0.03 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . 0.42 " O2'" ' N7 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C3'-C2'-C1' 104.201 3.001 . 0.361 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.434 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.086 0 C5'-C4'-C3' 111.637 -2.575 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.431 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 O4'-C1'-N19 110.934 2.734 . 0.893 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 111.097 2.897 . 0.602 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.132 2.932 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 O4'-C1'-N19 111.127 2.927 . 0.243 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 O4'-C1'-N19 111.127 2.927 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.805 0 O4'-C1'-N19 110.988 2.788 . 0.428 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 111.033 2.833 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.863 0 O4'-C1'-N19 110.906 2.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C5'-C4'-C3' 111.522 -2.652 . 0.095 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 C5'-C4'-C3' 111.708 -2.528 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.782 0 O4'-C1'-N19 110.865 2.665 . 0.023 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.536 -2.643 . 0.196 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.025 2.825 . 0.271 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.231 0 O4'-C1'-N19 111.042 2.842 . 0.498 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.475 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.075 2.875 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.149 2.949 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 O4'-C1'-N19 110.865 2.665 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.31 80.22 65.41 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.027 -1.046 . . . . 0.0 109.46 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.01 113.76 3.48 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.871 1.714 . . . . 0.0 110.416 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -179.39 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.125 -0.985 . . . . 0.0 109.341 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 118.06 14.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.95 -1.094 . . . . 0.0 109.415 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -104.33 157.7 33.5 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.1 -1.0 . . . . 0.0 109.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.31 137.16 14.82 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.942 1.762 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -113.88 41.18 2.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.094 -1.004 . . . . 0.0 109.285 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.3 t-160 56.11 25.97 9.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.073 -1.017 . . . . 0.0 110.68 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 65.4 m -169.55 139.18 2.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.741 -1.225 . . . . 0.0 109.719 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 4.0 pt -110.82 169.25 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.934 -1.103 . . . . 0.0 109.077 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -135.52 123.67 22.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.139 -0.975 . . . . 0.0 109.709 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -95.85 148.0 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 109.231 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -148.55 170.4 18.16 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.994 -1.067 . . . . 0.0 109.832 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 61.56 54.81 2.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.096 -1.002 . . . . 0.0 109.755 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -106.96 -173.4 2.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.954 -1.092 . . . . 0.0 109.24 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.51 150.51 25.21 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.878 -1.139 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -103.25 40.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.11 -0.994 . . . . 0.0 109.833 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -150.97 36.16 0.61 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.038 -1.039 . . . . 0.0 110.051 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mt -110.77 157.31 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.965 -1.084 . . . . 0.0 109.923 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -89.5 -180.0 5.94 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.119 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -36.02 27.38 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.957 -1.089 . . . . 0.0 110.054 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.68 -26.19 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -76.76 -46.65 24.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.789 -1.195 . . . . 0.0 109.999 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 tp -71.35 -22.86 61.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.809 -1.182 . . . . 0.0 110.698 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.0 -25.04 30.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.583 -1.323 . . . . 0.0 109.951 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.05 -31.01 55.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.66 -1.275 . . . . 0.0 110.058 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -85.84 -38.54 18.0 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.679 -1.263 . . . . 0.0 110.206 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.12 -38.09 78.7 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.889 -1.132 . . . . 0.0 110.066 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -64.64 -32.58 74.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.96 -1.087 . . . . 0.0 110.42 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.97 -66.49 0.78 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.784 -1.197 . . . . 0.0 109.954 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -58.1 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.893 -1.129 . . . . 0.0 111.986 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 m-85 -65.1 -31.3 72.43 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 20.0 p -62.56 -31.87 72.74 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.599 -1.313 . . . . 0.0 110.466 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -50.37 -35.79 29.66 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.515 -1.366 . . . . 0.0 110.47 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -92.92 64.43 3.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.854 -1.154 . . . . 0.0 110.027 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.72 -139.48 14.43 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -133.88 146.75 50.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.108 -1.231 . . . . 0.0 109.484 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 mt -99.85 133.54 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.118 -0.989 . . . . 0.0 109.445 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.26 -42.45 13.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.99 -1.069 . . . . 0.0 109.455 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.48 160.28 34.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.139 -0.975 . . . . 0.0 110.281 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.8 mt -141.01 123.53 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.185 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.25 116.81 24.67 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.036 -1.04 . . . . 0.0 109.632 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.48 22.46 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.068 -1.02 . . . . 0.0 110.693 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.528 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 39.2 t -47.48 143.91 3.34 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.815 -1.178 . . . . 0.0 110.497 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -119.53 39.23 3.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.058 . . . . 0.0 109.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.6 p -75.88 170.25 16.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.952 -1.093 . . . . 0.0 108.795 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.77 -41.27 66.99 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.811 -1.181 . . . . 0.0 109.605 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -69.78 -39.04 76.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.094 -1.004 . . . . 0.0 109.144 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.42 55.96 2.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.349 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.43 130.18 46.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.854 -1.154 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.93 38.67 86.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -161.16 153.45 20.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.948 -1.325 . . . . 0.0 109.977 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.34 -175.08 5.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.034 -1.041 . . . . 0.0 109.95 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 34.6 m-85 -135.35 149.84 49.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.086 -1.009 . . . . 0.0 109.21 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.34 140.77 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.936 -1.102 . . . . 0.0 109.193 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG2' ' CD1' ' A' ' 92' ' ' ILE . 11.3 mt -118.83 139.49 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.96 -1.088 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 61.6 m-85 -117.21 149.62 40.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.036 -1.04 . . . . 0.0 109.47 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -55.68 -40.12 71.89 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.993 -1.067 . . . . 0.0 109.321 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -120.84 161.95 20.65 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.387 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -74.27 -36.98 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.049 -1.032 . . . . 0.0 109.805 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.4 p -60.12 -34.9 74.14 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.906 -1.121 . . . . 0.0 110.215 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -61.31 -35.71 78.12 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.79 -1.194 . . . . 0.0 110.47 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.36 -32.15 62.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.791 -1.193 . . . . 0.0 109.505 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -62.87 -38.33 90.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.004 -1.06 . . . . 0.0 109.839 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -73.05 -36.59 66.94 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.94 -1.1 . . . . 0.0 109.619 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.44 -23.23 66.26 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.879 -1.138 . . . . 0.0 110.813 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -57.89 2.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.476 -1.39 . . . . 0.0 110.226 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -36.9 46.98 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.913 -1.117 . . . . 0.0 110.464 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -77.53 -36.33 52.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.066 . . . . 0.0 110.053 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 mtp -101.95 34.46 2.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.934 -1.104 . . . . 0.0 110.179 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -76.34 96.41 3.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.845 -1.159 . . . . 0.0 108.698 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.43 70.55 1.23 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.34 172.41 4.94 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.102 -1.234 . . . . 0.0 109.765 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.66 136.12 15.07 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.88 1.72 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -156.55 112.4 2.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.157 -0.964 . . . . 0.0 109.188 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 60.78 41.36 14.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.834 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.26 62.94 2.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.094 -1.004 . . . . 0.0 109.762 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -178.82 142.47 0.41 Allowed Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 120.913 -1.117 . . . . 0.0 110.015 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.17 124.68 6.73 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.597 1.531 . . . . 0.0 110.077 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -131.25 135.25 47.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -104.68 148.31 26.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.73 142.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -147.12 137.01 23.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.125 -0.984 . . . . 0.0 109.06 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -48.85 155.69 0.57 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.954 -1.091 . . . . 0.0 110.25 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.8 5.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.111 -0.993 . . . . 0.0 109.142 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -86.27 -48.04 8.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.964 -1.085 . . . . 0.0 109.343 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -105.93 179.61 4.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.017 -1.052 . . . . 0.0 109.5 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 8.6 m-20 -86.39 178.48 7.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.005 -1.06 . . . . 0.0 109.288 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 p -94.44 156.48 16.46 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.081 -1.012 . . . . 0.0 109.559 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.71 -20.69 21.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.041 -1.037 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -59.71 -23.16 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.523 -1.36 . . . . 0.0 109.514 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.47 -38.39 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.567 -1.333 . . . . 0.0 107.946 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.69 -29.51 27.01 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.155 -0.966 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -87.03 -27.81 22.98 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.638 -1.289 . . . . 0.0 111.946 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.411 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.3 mmt -66.58 -29.64 69.75 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.089 -1.007 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -47.74 -34.67 8.68 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 120.751 -1.218 . . . . 0.0 108.966 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.72 -57.5 0.19 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 t 178.44 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.036 -1.273 . . . . 0.0 110.066 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 45.75 50.52 10.86 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.996 -1.065 . . . . 0.0 111.032 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.499 2.022 0 O-C-N 120.972 -1.08 . . . . 0.0 110.096 -179.839 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 110.883 2.683 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.406 ' N1 ' ' N3 ' ' B' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.802 0 O4'-C1'-N19 111.075 2.875 . 0.361 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-C3' 111.611 -2.593 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.526 ' C2 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.054 2.854 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.944 0 O4'-C1'-N19 111.303 3.103 . 0.328 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C3'-C2'-C1' 104.47 3.3 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.405 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.706 3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.405 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.211 0 O4'-C1'-N19 111.773 3.573 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 111.144 2.944 . 0.377 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C5'-C4'-C3' 111.693 -2.538 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.445 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.112 2.912 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C3'-C2'-C1' 104.235 3.039 . 0.309 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.447 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C5'-C4'-C3' 111.64 -2.573 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.538 ' C2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 110.908 2.708 . 0.899 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.538 ' N7 ' ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.176 0 O4'-C1'-N19 111.062 2.862 . 0.668 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.522 ' C6 ' ' C6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.068 0 O4'-C1'-N19 111.185 2.985 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.522 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.222 3.022 . 0.148 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 111.034 2.834 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.511 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.799 0 O4'-C1'-N19 110.891 2.691 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.511 ' C2 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.074 0 O4'-C1'-N19 111.145 2.945 . 0.266 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.846 0 O4'-C1'-N19 110.936 2.736 . 0.324 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.437 ' N2 ' ' O ' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.429 -2.028 0 O4'-C1'-N19 110.853 2.653 . 0.015 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.446 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.431 -1.84 0 C5'-C4'-C3' 111.922 -2.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 C5'-C4'-C3' 111.526 -2.649 . 0.105 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.459 " O2'" ' P ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 O4'-C1'-N19 111.553 3.353 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 111.058 2.858 . 0.029 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 O4'-C1'-N19 111.363 3.163 . 0.504 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.526 ' N2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.149 0 O4'-C1'-N19 111.026 2.826 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . 0.406 ' N3 ' ' N1 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.106 2.906 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 O4'-C1'-N19 110.954 2.754 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -142.09 63.42 15.61 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.093 -1.004 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.56 92.86 1.1 Allowed 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 121.812 1.675 . . . . 0.0 110.253 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.67 101.03 0.22 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.076 -1.015 . . . . 0.0 109.57 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 m 56.91 39.21 29.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.895 -1.128 . . . . 0.0 109.974 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 63.34 117.07 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.903 0 O-C-N 121.008 -1.058 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.09 139.38 17.03 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 121.548 1.499 . . . . 0.0 110.397 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.68 175.95 5.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.109 -0.994 . . . . 0.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 4.3 t60 -86.18 -41.91 14.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.018 -1.051 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -101.15 150.49 22.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 pt -111.88 147.29 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.0 . . . . 0.0 109.283 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 37.2 t80 -118.86 126.5 51.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.225 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -98.88 150.79 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.068 -1.02 . . . . 0.0 108.952 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -141.92 176.22 9.11 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.923 -1.111 . . . . 0.0 109.623 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 42.75 17.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.139 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.4 178.95 5.67 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.159 -0.963 . . . . 0.0 109.567 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -73.34 150.54 41.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.037 -1.039 . . . . 0.0 109.129 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -102.07 38.03 1.74 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 110.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -151.43 35.64 0.57 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.913 -1.117 . . . . 0.0 110.183 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 mm -101.53 151.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.886 -1.134 . . . . 0.0 109.755 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -79.77 -179.58 7.0 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -88.05 -40.13 14.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.987 -1.071 . . . . 0.0 109.153 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -27.19 59.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.095 -1.003 . . . . 0.0 108.589 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.7 tp10 -74.24 -48.07 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.915 -1.115 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.48 -34.05 77.32 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.96 -1.088 . . . . 0.0 110.689 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.15 -29.1 62.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.849 -1.157 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -30.98 61.91 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.639 -1.288 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -77.37 -38.84 49.22 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.722 -1.236 . . . . 0.0 110.174 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -67.6 -40.39 84.74 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.971 -1.081 . . . . 0.0 109.754 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -61.76 -29.48 70.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.07 -1.018 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.19 -70.13 0.56 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.678 -1.264 . . . . 0.0 110.011 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -58.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.987 . . . . 0.0 111.95 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -62.29 -34.47 76.64 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.823 -1.173 . . . . 0.0 110.804 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -57.15 -33.84 67.81 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.778 -1.202 . . . . 0.0 110.371 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -46.71 -43.16 17.63 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.761 -1.212 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -99.42 74.92 1.94 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.748 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.32 160.61 32.46 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -84.4 146.8 27.48 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.034 -1.274 . . . . 0.0 109.309 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -97.32 147.58 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.03 -1.044 . . . . 0.0 109.633 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.71 -39.82 11.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.112 -0.992 . . . . 0.0 109.642 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.67 151.57 2.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.056 -1.027 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.31 131.63 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.067 -1.021 . . . . 0.0 109.392 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.72 125.53 50.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.003 -1.061 . . . . 0.0 109.626 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 29.7 m -132.86 136.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.108 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -124.17 139.64 53.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.985 -1.072 . . . . 0.0 109.968 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -109.8 40.18 1.96 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 p -97.63 165.71 11.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.011 -1.056 . . . . 0.0 109.124 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 ' O ' ' N2 ' ' B' ' 42' ' ' ' G' . 5.1 tt -53.79 -39.76 65.73 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.836 -1.165 . . . . 0.0 109.817 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -66.07 -40.45 90.88 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.981 -1.075 . . . . 0.0 109.484 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.4 mmt -100.87 62.1 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -107.21 56.81 0.64 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.094 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.18 57.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.83 178.77 0.94 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.04 -1.271 . . . . 0.0 110.497 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.68 179.21 7.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.775 -1.203 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -137.22 138.29 39.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.015 -1.053 . . . . 0.0 109.216 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.46 109.93 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.978 -1.076 . . . . 0.0 109.623 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.7 mt -91.35 116.46 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.989 -1.069 . . . . 0.0 108.872 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.435 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 3.2 m-85 -88.22 148.14 24.51 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.443 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -49.5 -35.57 20.33 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.78 164.13 28.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.556 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.31 -37.66 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.078 -1.013 . . . . 0.0 110.175 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.4 p -58.23 -34.47 70.45 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.961 -1.087 . . . . 0.0 110.488 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -64.46 -36.91 85.71 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.767 -1.208 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -27.36 61.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.857 -1.152 . . . . 0.0 109.605 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 m -68.18 -39.2 82.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.874 -1.141 . . . . 0.0 109.44 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -68.13 -41.39 81.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.097 . . . . 0.0 109.094 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.43 71.34 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.068 -1.02 . . . . 0.0 109.556 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.12 -35.99 77.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.019 -1.051 . . . . 0.0 109.765 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -94.24 56.89 2.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -160.11 -56.54 0.06 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.055 -1.028 . . . . 0.0 109.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -104.72 36.52 2.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.21 105.38 0.33 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.955 -1.091 . . . . 0.0 108.836 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.06 1.47 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.74 -1.744 . . . . 0.0 108.74 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -116.82 167.05 11.37 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.117 -1.225 . . . . 0.0 109.961 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.08 126.95 8.16 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.962 1.774 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.29 112.01 8.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 108.889 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 70.4 m-85 71.36 -83.94 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 122.114 -0.366 . . . . 0.0 110.394 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -154.88 47.28 0.54 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.581 -1.325 . . . . 0.0 110.245 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -179.44 156.13 0.8 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 120.977 -1.077 . . . . 0.0 110.15 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.51 141.87 22.87 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.762 1.642 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -140.68 130.89 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 0.0 110.218 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -100.96 150.01 23.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.207 -0.933 . . . . 0.0 108.696 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.85 136.82 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.069 -1.02 . . . . 0.0 110.557 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -130.19 140.71 50.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.92 151.15 2.64 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.882 -1.136 . . . . 0.0 109.891 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 178.2 2.73 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' CG ' ' C2 ' ' B' ' 43' ' ' ' C' . 0.7 OUTLIER -94.16 -44.33 8.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 109.156 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.9 p -119.34 179.99 4.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.117 -0.989 . . . . 0.0 109.6 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -94.67 -176.05 3.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.3 t -103.43 166.66 10.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.067 -1.021 . . . . 0.0 109.612 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -96.49 -24.24 16.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.037 -1.039 . . . . 0.0 110.956 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -25.65 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.46 -1.4 . . . . 0.0 109.341 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 mm -68.37 -44.57 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.95 -50.99 44.72 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.651 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -53.08 -42.36 65.79 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.857 -1.152 . . . . 0.0 109.981 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.4 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.5 mmt -60.23 168.44 1.99 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.8 mttt 64.77 17.37 10.94 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.37 -56.84 0.58 Allowed Glycine 0 N--CA 1.478 1.466 0 O-C-N 120.607 -1.308 . . . . 0.0 110.459 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t -179.64 -45.69 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.883 -1.363 . . . . 0.0 111.45 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -150.47 46.96 0.89 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.667 -1.271 . . . . 0.0 110.005 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 N--CA 1.49 1.55 0 O-C-N 120.993 -1.067 . . . . 0.0 108.946 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.43 " O2'" " O4'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.916 0 O4'-C1'-N19 110.986 2.786 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.43 " O4'" " O2'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.094 0 O4'-C1'-N19 111.095 2.895 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.08 2.88 . 0.342 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.0 2.8 . 0.081 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.506 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.95 0 O4'-C1'-N19 111.175 2.975 . 0.288 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.506 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 C5'-C4'-C3' 111.513 -2.658 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.531 ' C6 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 111.761 3.561 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.121 0 O4'-C1'-N19 111.881 3.681 . 0.19 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.433 " O2'" " O4'" ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.125 2.925 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.523 ' C2 ' ' N2 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 110.782 2.582 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.477 ' C2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.362 3.162 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . 0.521 " O2'" ' C5 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 C3'-C2'-C1' 104.289 3.099 . 0.433 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.477 ' C4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.084 0 C5'-C4'-C3' 111.576 -2.616 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.521 ' C5 ' " O2'" ' B' ' 30' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.013 2.813 . 0.749 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.514 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.466 3.266 . 0.6 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.523 ' N2 ' ' C2 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.061 0 O4'-C1'-N19 111.202 3.002 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.994 0 O4'-C1'-N19 111.25 3.05 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.887 2.687 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.535 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 O4'-C1'-N19 110.947 2.747 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.535 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 111.232 3.032 . 0.397 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.817 0 O4'-C1'-N19 110.953 2.753 . 0.39 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.444 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C5'-C4'-C3' 111.686 -2.543 . 0.109 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.873 0 O4'-C1'-N19 110.835 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.533 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.436 1.828 0 O4'-C1'-N19 110.92 2.72 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.529 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.038 2.838 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.53 ' C4 ' ' C4 ' ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.467 3.267 . 0.068 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . 0.53 ' C4 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.146 0 O4'-C1'-N19 111.093 2.893 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.085 0 O4'-C1'-N19 111.016 2.816 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 O4'-C1'-N19 111.013 2.813 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 110.859 2.659 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.77 86.51 13.16 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.003 -1.061 . . . . 0.0 109.484 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.8 114.88 3.72 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 121.879 1.719 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.13 173.4 0.35 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.026 -1.046 . . . . 0.0 109.374 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.93 116.81 7.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.045 . . . . 0.0 109.604 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -97.32 115.3 65.71 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.123 -0.986 . . . . 0.0 109.086 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.27 110.73 3.06 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 121.366 1.377 . . . . 0.0 110.507 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.81 156.53 17.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.145 -0.972 . . . . 0.0 109.406 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -55.52 -38.3 69.06 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.04 -1.037 . . . . 0.0 109.792 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.499 ' OG1' ' OG ' ' A' ' 90' ' ' SER . 47.4 m -106.78 140.94 38.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.089 . . . . 0.0 109.826 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.415 ' CG1' ' CG1' ' A' ' 56' ' ' VAL . 11.6 pt -107.69 146.05 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.134 -0.979 . . . . 0.0 109.307 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 42.7 t80 -104.7 124.52 49.53 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.274 -0.891 . . . . 0.0 109.43 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mt -101.72 153.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.017 -1.052 . . . . 0.0 109.093 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -141.49 173.97 10.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.946 -1.097 . . . . 0.0 109.581 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 60.24 58.53 2.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.056 -1.028 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' ASN . 62.0 mt -114.12 47.72 1.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.996 -1.065 . . . . 0.0 109.652 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 5.8 t-20 55.87 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.188 -0.945 . . . . 0.0 110.87 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.54 39.9 3.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.075 -1.015 . . . . 0.0 109.953 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -147.65 34.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.993 -1.067 . . . . 0.0 110.107 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mt -115.28 156.72 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.905 -1.122 . . . . 0.0 110.095 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -91.09 -179.16 5.37 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.191 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -79.41 -38.7 34.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.049 -1.032 . . . . 0.0 109.699 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.43 -25.67 65.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.045 -1.035 . . . . 0.0 108.878 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.17 -54.81 7.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.867 -1.145 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.7 -20.53 64.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.937 -1.102 . . . . 0.0 111.253 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -84.93 -27.85 26.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.457 -1.402 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.87 -29.67 50.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.7 -1.25 . . . . 0.0 110.265 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -88.71 -36.04 16.4 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.653 -1.279 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.09 -41.44 67.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.858 -1.151 . . . . 0.0 109.625 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.36 -67.3 0.7 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.783 -1.198 . . . . 0.0 109.976 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.96 -59.66 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 112.103 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -61.78 -37.52 84.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.716 -1.24 . . . . 0.0 110.277 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 t -51.88 -35.69 46.06 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.896 -1.127 . . . . 0.0 110.471 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -53.79 -49.8 67.51 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.751 -1.218 . . . . 0.0 109.714 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.43 -58.73 6.97 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.008 -1.058 . . . . 0.0 109.513 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.35 -158.48 8.25 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -89.8 149.81 22.53 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.083 -1.245 . . . . 0.0 109.425 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.07 117.16 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 109.608 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.28 -68.75 0.3 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.051 -1.031 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -148.25 162.21 39.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 109.747 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mt -129.87 133.61 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.961 -1.087 . . . . 0.0 109.393 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.4 128.69 50.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 109.749 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.82 160.27 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.995 -1.065 . . . . 0.0 108.786 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 147.46 28.07 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.899 -1.126 . . . . 0.0 109.972 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -117.88 37.23 4.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 0.0 109.739 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.4 p -96.95 173.81 7.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.206 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -41.21 69.52 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 109.538 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -66.2 -39.11 89.4 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.997 -1.065 . . . . 0.0 109.74 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mtp -107.05 57.92 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.944 -1.097 . . . . 0.0 109.41 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -103.02 144.79 30.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.043 -1.036 . . . . 0.0 109.646 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.87 38.46 84.23 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -159.64 150.19 19.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.975 -1.309 . . . . 0.0 109.824 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.65 -172.66 4.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.052 -1.03 . . . . 0.0 110.377 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 20.6 m-85 -142.59 150.17 39.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.137 -0.977 . . . . 0.0 109.045 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 11' ' ' ILE . 14.5 p -138.63 137.61 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.018 -1.051 . . . . 0.0 109.739 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.37 122.41 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 109.22 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 68.7 m-85 -93.69 155.49 17.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 109.253 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.21 -39.57 60.37 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.97 -1.081 . . . . 0.0 109.529 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.5 174.63 8.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.105 -0.997 . . . . 0.0 109.147 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.54 -37.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.966 -1.084 . . . . 0.0 109.776 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -60.48 -32.16 71.15 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.96 -1.087 . . . . 0.0 110.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -34.32 78.15 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.779 -1.201 . . . . 0.0 110.604 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.89 65.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.697 -1.252 . . . . 0.0 108.94 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -61.03 -37.49 82.78 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.091 -1.005 . . . . 0.0 109.857 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -71.48 -36.61 71.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.933 -1.104 . . . . 0.0 109.509 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.47 60.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.806 -1.184 . . . . 0.0 111.381 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -39.96 10.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.331 -1.48 . . . . 0.0 110.463 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -75.63 -45.58 36.47 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.895 -1.128 . . . . 0.0 109.485 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.44 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 56.6 m -65.11 -36.04 83.02 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.117 -0.989 . . . . 0.0 109.694 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mmm -102.87 35.66 2.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.909 -1.12 . . . . 0.0 109.908 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.29 101.76 4.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.901 -1.125 . . . . 0.0 108.767 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.85 70.56 1.26 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.9 m-85 -116.35 168.52 8.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.133 -1.216 . . . . 0.0 110.017 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.49 109.38 2.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.089 1.859 . . . . 0.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.73 120.76 24.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.045 -1.034 . . . . 0.0 108.244 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 59.86 40.08 19.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.73 67.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.01 -1.057 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 178.84 146.76 0.37 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 120.913 -1.117 . . . . 0.0 109.998 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.15 113.34 3.38 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.538 1.492 . . . . 0.0 109.887 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.48 126.5 46.84 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.999 -1.063 . . . . 0.0 110.295 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -95.76 145.48 25.29 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.037 -1.039 . . . . 0.0 108.801 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.5 mt -105.0 137.01 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.031 -1.043 . . . . 0.0 110.343 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.54 135.29 38.35 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -45.02 162.78 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.194 -0.941 . . . . 0.0 111.225 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.66 -170.69 3.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.23 -0.919 . . . . 0.0 109.214 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -79.9 -51.36 9.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.007 -1.058 . . . . 0.0 109.002 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -132.23 -179.69 5.58 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.178 -0.951 . . . . 0.0 109.789 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.37 -175.96 0.54 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.179 -0.951 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.499 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.0 156.83 16.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.079 . . . . 0.0 109.394 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -29.86 51.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.04 -1.037 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.97 -24.99 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.703 -1.248 . . . . 0.0 109.163 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -72.0 -41.97 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.65 -1.282 . . . . 0.0 107.6 178.271 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.3 41.75 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.201 -0.937 . . . . 0.0 110.12 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -64.13 -42.99 96.6 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.801 -1.187 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.28 72.43 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.491 -0.755 . . . . 0.0 110.813 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -40.02 62.29 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.88 -60.61 0.04 OUTLIER Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 174.85 52.28 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.17 -1.194 . . . . 0.0 109.951 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -40.52 76.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.886 -1.134 . . . . 0.0 109.66 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.501 2.087 0 O-C-N 120.932 -1.105 . . . . 0.0 110.262 -179.762 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C3'-C2'-C1' 104.044 2.827 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.418 ' C5 ' ' C5 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.941 0 O4'-C1'-N19 111.047 2.847 . 0.453 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.418 ' C5 ' ' C5 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 110.82 2.62 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.539 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 110.912 2.712 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.537 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.027 0 O4'-C1'-N19 111.237 3.037 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C3'-C2'-C1' 104.022 2.803 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.273 3.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.015 0 O4'-C1'-N19 111.705 3.505 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 111.092 2.892 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.422 ' C5 ' ' C4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 110.8 2.6 . 0.179 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 110.965 2.765 . 0.267 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C3'-C2'-C1' 104.203 3.003 . 0.422 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C5'-C4'-C3' 111.558 -2.628 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.43 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 O4'-C1'-N19 110.861 2.661 . 0.823 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.132 2.932 . 0.653 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.08 0 O4'-C1'-N19 111.126 2.926 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 111.105 2.905 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 110.947 2.747 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C1'-N19 111.078 2.878 . 0.418 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 110.98 2.78 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.877 0 O4'-C1'-N19 110.854 2.654 . 0.021 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.446 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 O4'-C1'-N19 110.912 2.712 . 0.051 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.777 0 C5'-C4'-C3' 111.759 -2.494 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.796 0 O4'-C1'-N19 110.836 2.636 . 0.16 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 O4'-C1'-N19 111.467 3.267 . 0.373 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.49 3.29 . 0.068 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.539 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 111.05 2.85 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.293 3.093 . 0.287 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 O4'-C1'-N19 110.79 2.59 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.5 t 58.77 77.14 0.41 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.057 -1.027 . . . . 0.0 109.563 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 -179.06 5.09 Favored 'Trans proline' 0 C--N 1.323 -0.787 0 C-N-CA 121.832 1.688 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 171.48 1.03 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.019 -1.051 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.63 93.54 2.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.039 -1.038 . . . . 0.0 109.502 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 147.66 33.35 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.012 -1.055 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.15 143.83 18.06 Favored 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.798 1.665 . . . . 0.0 110.502 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -141.45 -178.59 5.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.058 -1.026 . . . . 0.0 109.118 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.0 OUTLIER -101.37 33.29 2.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.036 -1.04 . . . . 0.0 110.172 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 78.7 m -167.92 123.8 1.05 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.813 -1.179 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 pp -88.8 163.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.949 -1.095 . . . . 0.0 109.088 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' OH ' ' OE1' ' A' ' 53' ' ' GLN . 16.2 t80 -132.44 129.17 38.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.034 -1.041 . . . . 0.0 109.568 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -104.37 153.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -140.63 169.33 17.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.054 -1.028 . . . . 0.0 109.471 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.7 57.38 4.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 109.498 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' ASN . 18.1 mt -100.42 45.7 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.562 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LEU . 6.8 t30 56.7 160.92 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.089 -1.007 . . . . 0.0 110.746 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.99 36.8 3.35 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.962 -1.086 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -151.21 35.0 0.58 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.889 -1.132 . . . . 0.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 8.6 mm -101.6 152.47 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.851 -1.156 . . . . 0.0 109.822 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.44 -177.05 6.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -86.48 -39.34 16.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 109.298 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.51 -25.85 54.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.182 -0.949 . . . . 0.0 108.861 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -76.02 -45.09 36.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.92 -1.112 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.58 -33.26 74.65 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.896 -1.128 . . . . 0.0 110.371 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -31.48 66.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.797 -1.189 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.76 -34.2 66.84 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.67 -1.269 . . . . 0.0 110.241 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -75.1 -33.37 61.62 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.784 -1.198 . . . . 0.0 110.494 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.03 -30.84 61.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.779 -1.201 . . . . 0.0 110.585 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -83.28 -23.5 32.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.781 -1.2 . . . . 0.0 111.093 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -33.18 21.96 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.546 -1.346 . . . . 0.0 110.506 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 O-C-N 120.826 -1.171 . . . . 0.0 110.218 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.39 -29.26 18.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.804 -1.185 . . . . 0.0 111.504 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.571 -1.331 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.66 40.98 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.584 -1.322 . . . . 0.0 110.641 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CE1' ' OD1' ' A' ' 66' ' ' ASN . 14.3 m-85 -63.65 -52.24 61.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.812 -1.18 . . . . 0.0 109.104 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.72 -107.23 0.47 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -145.8 129.87 17.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.115 -1.227 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.3 mt -94.99 143.93 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.065 -1.022 . . . . 0.0 109.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.5 mt -94.74 -38.4 10.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.079 -1.013 . . . . 0.0 110.303 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -166.47 142.93 4.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.891 -1.131 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.9 mt -120.46 112.84 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.982 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.23 114.44 26.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.951 -1.093 . . . . 0.0 110.033 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 6.5 t -110.59 160.62 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.133 -0.98 . . . . 0.0 108.477 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.524 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 32.9 t -154.81 165.43 36.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.801 -1.187 . . . . 0.0 110.387 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -133.99 38.77 3.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.674 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.4 p -89.66 164.66 14.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.968 -1.082 . . . . 0.0 108.73 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.76 -53.06 62.32 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.843 -1.161 . . . . 0.0 109.118 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' O ' " O2'" ' B' ' 42' ' ' ' G' . 3.8 mmmt -59.86 -40.19 87.75 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.089 -1.007 . . . . 0.0 109.406 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 mtp -105.25 63.67 0.7 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.029 -1.045 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -109.23 138.15 46.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.98 -1.075 . . . . 0.0 109.521 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.36 38.23 96.08 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 12' ' ' TYR . 10.3 pt20 -153.16 158.32 41.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.837 -1.39 . . . . 0.0 109.637 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.52 173.97 14.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.0 -1.062 . . . . 0.0 110.154 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.16 121.46 26.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.4 131.27 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.875 -1.141 . . . . 0.0 108.845 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.9 mm -105.5 140.48 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.078 -1.014 . . . . 0.0 109.31 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.55 143.93 44.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.016 -1.053 . . . . 0.0 109.35 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -52.47 -39.97 61.78 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.955 -1.091 . . . . 0.0 109.684 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -125.26 148.35 48.71 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.162 -0.961 . . . . 0.0 109.266 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.6 -34.34 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.092 -1.005 . . . . 0.0 110.156 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 p -60.79 -38.3 84.84 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.854 -1.154 . . . . 0.0 109.805 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.24 -34.56 72.37 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.938 -1.101 . . . . 0.0 110.504 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.86 -34.69 66.91 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.76 -1.212 . . . . 0.0 109.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 m -59.31 -38.85 81.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' OD1' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -69.93 -37.5 75.93 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.63 -3.59 47.83 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.909 -1.119 . . . . 0.0 111.302 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.58 -44.47 7.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.319 -1.488 . . . . 0.0 109.896 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -81.56 -42.47 20.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 109.461 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 58.4 m -63.94 -31.5 72.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 80.2 mmm -102.88 37.41 1.96 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.701 -1.249 . . . . 0.0 109.703 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -77.93 108.14 10.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.079 . . . . 0.0 109.311 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.59 58.8 6.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -102.44 170.96 5.71 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.256 . . . . 0.0 109.841 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -80.02 137.12 12.11 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.014 1.81 . . . . 0.0 110.687 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.2 106.92 2.84 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.072 -1.018 . . . . 0.0 109.344 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.463 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 90.6 m-85 58.72 44.85 16.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.179 -0.951 . . . . 0.0 109.704 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.41 68.59 0.83 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.129 -0.982 . . . . 0.0 109.817 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.2 151.5 0.44 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.959 -1.088 . . . . 0.0 110.057 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.07 134.99 13.48 Favored 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.76 1.64 . . . . 0.0 109.949 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.18 121.31 23.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 0.0 110.403 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -100.3 144.75 28.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.119 -0.988 . . . . 0.0 108.422 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.0 134.2 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.968 -1.082 . . . . 0.0 110.629 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -131.0 141.25 50.23 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -52.09 168.88 0.08 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.729 -1.232 . . . . 0.0 109.556 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.67 174.34 7.55 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.005 -1.06 . . . . 0.0 109.74 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -95.5 -44.36 7.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.036 -1.04 . . . . 0.0 109.517 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.0 p -99.09 178.66 4.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.045 -1.035 . . . . 0.0 109.657 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -100.75 -179.37 4.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.05 -1.031 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 157.9 18.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.074 -1.016 . . . . 0.0 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -93.38 -26.79 17.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.012 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 93' ' ' ILE . 2.4 pp -56.98 -27.3 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.579 -1.326 . . . . 0.0 109.46 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CG2' ' CD2' ' A' ' 9' ' ' HIS . 1.1 mm -66.42 -45.45 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.74 -32.04 2.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.393 -0.817 . . . . 0.0 111.252 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -79.22 -40.93 29.46 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -21.88 66.38 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.362 -0.836 . . . . 0.0 111.593 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -50.67 -37.0 38.47 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.537 -1.352 . . . . 0.0 107.907 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.88 -53.87 0.05 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 t 173.94 52.23 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.255 -1.144 . . . . 0.0 109.855 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 16.3 t80 45.82 39.42 5.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.031 -1.043 . . . . 0.0 111.023 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.499 1.977 0 O-C-N 120.974 -1.079 . . . . 0.0 110.202 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 O4'-C1'-N19 110.972 2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.845 0 O4'-C1'-N19 111.037 2.837 . 0.382 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 O4'-C1'-N19 110.87 2.67 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.537 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 110.817 2.617 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.423 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.916 0 O4'-C1'-N19 111.109 2.909 . 0.115 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.423 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 110.96 2.76 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 111.527 3.327 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.45 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.176 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.45 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 110.958 2.758 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.536 ' C5 ' ' C4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.112 2.912 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.536 ' C4 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.062 2.862 . 0.022 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C3'-C2'-C1' 104.212 3.013 . 0.451 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.445 ' N4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.002 0 C5'-C4'-C3' 111.69 -2.54 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.529 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C3'-C2'-C1' 104.13 2.922 . 0.763 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.529 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.179 2.979 . 0.612 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.523 ' N1 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.3 3.1 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.528 ' C2 ' ' C2 ' ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.218 3.018 . 0.059 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.528 ' C2 ' ' C2 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 O4'-C1'-N19 110.881 2.681 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 111.003 2.803 . 0.425 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.432 ' O2 ' ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 O4'-C1'-N19 111.056 2.856 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.468 " O2'" ' OP2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.925 0 C3'-C2'-C1' 104.135 2.928 OUTLIER-EPSILON 0.01 7r . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.468 ' OP2' " O2'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.053 0 P-O3'-C3' 124.123 3.686 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.521 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.423 -2.532 1 O4'-C1'-N19 112.648 4.448 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.539 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.024 0 C5'-C4'-C3' 111.598 -2.601 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.539 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.816 0 O4'-C1'-N19 111.414 3.214 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.201 0 O4'-C1'-N19 111.265 3.065 . 0.618 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.537 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.071 0 O4'-C1'-N19 111.061 2.861 . 0.286 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 111.204 3.004 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 O4'-C1'-N19 111.073 2.873 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -141.77 83.75 12.67 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.049 -1.032 . . . . 0.0 109.554 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.11 134.0 12.68 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.807 1.671 . . . . 0.0 110.334 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -57.31 143.57 39.19 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -154.53 60.97 0.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.05 -1.031 . . . . 0.0 109.717 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -89.79 164.73 27.71 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.015 -1.053 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.15 117.25 4.36 Favored 'Trans proline' 0 C--N 1.321 -0.868 0 C-N-CA 121.758 1.639 . . . . 0.0 110.258 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -102.11 -172.24 2.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -85.65 -37.9 18.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.098 -1.001 . . . . 0.0 109.723 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -106.92 156.18 18.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.071 . . . . 0.0 110.142 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 3.3 pt -116.23 161.24 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 25.5 t80 -132.54 137.75 47.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.033 -1.042 . . . . 0.0 109.694 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.26 138.41 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.021 -1.05 . . . . 0.0 109.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -135.17 -171.03 2.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.044 -1.035 . . . . 0.0 109.266 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 59.65 47.07 11.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.903 -1.123 . . . . 0.0 109.425 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -177.54 3.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.987 -1.071 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -77.03 153.44 34.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.88 -1.138 . . . . 0.0 109.447 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -103.83 39.81 1.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 109.804 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -151.81 37.13 0.57 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.963 -1.086 . . . . 0.0 109.857 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.79 157.14 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.025 -1.047 . . . . 0.0 109.883 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -91.35 179.59 5.65 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.142 -1.023 . . . . 0.0 108.936 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -37.09 26.89 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.964 -1.085 . . . . 0.0 109.702 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.75 -18.07 60.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.072 -1.018 . . . . 0.0 109.697 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -85.89 -44.44 12.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.587 -1.321 . . . . 0.0 110.271 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tp -70.4 -33.15 71.05 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.855 -1.153 . . . . 0.0 110.217 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -33.8 62.55 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.843 -1.161 . . . . 0.0 109.674 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -68.11 -34.32 76.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.784 -1.197 . . . . 0.0 110.194 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -74.47 -40.04 62.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.726 -1.234 . . . . 0.0 109.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.72 -30.23 71.23 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.985 -1.072 . . . . 0.0 110.639 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -77.87 -24.97 48.36 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.692 -1.255 . . . . 0.0 111.132 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.09 -37.65 28.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.598 -1.314 . . . . 0.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.03 -55.53 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.901 -1.124 . . . . 0.0 110.921 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 67.1 m-85 -60.19 -31.07 69.79 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.768 -1.207 . . . . 0.0 110.894 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -70.9 -30.25 66.54 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.657 -1.277 . . . . 0.0 111.303 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -50.13 -30.0 10.29 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.593 -1.317 . . . . 0.0 111.144 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -79.1 -53.02 7.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.611 -1.306 . . . . 0.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.35 -146.77 4.41 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -106.62 135.65 47.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.039 -1.271 . . . . 0.0 109.436 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.32 128.24 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.975 -1.078 . . . . 0.0 109.225 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -40.91 64.65 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.051 -1.03 . . . . 0.0 109.471 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.37 138.63 0.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.012 -1.055 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.01 143.49 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.063 -1.023 . . . . 0.0 109.048 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.17 141.67 51.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.961 -1.087 . . . . 0.0 110.027 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.87 128.24 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 108.985 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.25 154.94 19.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.969 -1.082 . . . . 0.0 109.841 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.49 38.39 2.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.041 -1.037 . . . . 0.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -100.5 -176.51 3.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.016 -1.052 . . . . 0.0 109.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.99 -53.25 27.38 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.929 -1.107 . . . . 0.0 109.856 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -67.11 -37.97 84.84 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -105.46 58.59 0.67 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.938 -1.101 . . . . 0.0 109.462 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.0 OUTLIER -107.13 139.73 41.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 109.464 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.01 51.69 51.14 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -168.3 158.1 9.67 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.046 -1.267 . . . . 0.0 110.245 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.07 150.72 25.98 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.931 -1.106 . . . . 0.0 110.179 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 49.6 m-85 -108.13 154.23 22.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.086 -1.009 . . . . 0.0 109.103 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.77 124.18 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.121 . . . . 0.0 109.643 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.81 117.13 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.285 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.68 146.2 24.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.054 -1.029 . . . . 0.0 109.332 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -54.7 -40.43 69.17 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.4 155.56 40.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.033 -1.042 . . . . 0.0 109.223 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.022 -1.049 . . . . 0.0 109.959 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 p -59.97 -37.71 80.39 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.994 -1.066 . . . . 0.0 110.159 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.886 -1.134 . . . . 0.0 110.377 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.01 56.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.764 -1.21 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -37.48 86.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 109.514 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -77.29 -36.39 54.27 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.934 -1.104 . . . . 0.0 109.576 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.08 -8.72 57.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.887 -1.133 . . . . 0.0 111.484 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -100.74 -47.77 4.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.349 -1.469 . . . . 0.0 110.189 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -70.49 -41.68 72.39 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.028 -1.045 . . . . 0.0 109.503 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 -37.6 87.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.082 -1.011 . . . . 0.0 109.484 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.8 mmm -103.23 35.57 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.909 -1.119 . . . . 0.0 109.868 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -70.35 113.5 7.56 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 108.667 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.48 70.12 1.11 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.585 -1.806 . . . . 0.0 108.585 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.94 172.31 4.43 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.087 -1.243 . . . . 0.0 109.865 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.44 140.01 18.87 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.91 1.74 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -159.36 112.83 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.25 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.99 41.92 13.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.0 t70 57.33 63.99 1.72 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.163 -0.961 . . . . 0.0 109.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 179.48 144.1 0.35 Allowed Pre-proline 0 N--CA 1.499 2.025 0 O-C-N 120.921 -1.112 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 126.4 7.69 Favored 'Trans proline' 0 C--N 1.323 -0.765 0 C-N-CA 121.642 1.562 . . . . 0.0 110.018 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.37 135.28 40.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.994 -1.066 . . . . 0.0 110.124 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -104.85 146.72 28.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 108.639 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -107.48 136.74 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.006 -1.059 . . . . 0.0 110.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.24 133.57 41.01 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -51.43 133.96 29.11 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.805 -1.184 . . . . 0.0 109.816 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -176.91 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.021 -1.049 . . . . 0.0 109.475 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -92.3 -44.17 8.88 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.96 -1.088 . . . . 0.0 109.332 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.4 p -104.32 179.65 4.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.032 -1.042 . . . . 0.0 109.459 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.43 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.0 m-20 -93.49 177.59 5.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.07 -1.019 . . . . 0.0 109.463 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.439 ' OG ' ' CG1' ' A' ' 93' ' ' ILE . 1.7 p -72.64 154.53 40.7 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.097 -1.002 . . . . 0.0 109.419 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.04 -30.74 15.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.03 -1.044 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.24 -24.59 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.669 -1.27 . . . . 0.0 109.604 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' OG ' ' A' ' 90' ' ' SER . 0.9 OUTLIER -70.76 -42.81 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 120.472 -1.393 . . . . 0.0 107.316 177.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -32.34 34.2 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.236 -0.915 . . . . 0.0 110.145 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -79.11 -33.15 44.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.739 -1.226 . . . . 0.0 111.274 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.408 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.8 mmt -66.17 -29.42 69.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -47.53 -35.0 8.29 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.838 -1.164 . . . . 0.0 109.007 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.91 -49.94 0.19 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.1 t -179.51 50.21 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.139 -1.212 . . . . 0.0 110.129 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -91.98 74.36 5.59 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.93 -1.106 . . . . 0.0 109.228 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.053 -1.029 . . . . 0.0 109.174 -179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 O4'-C1'-N19 110.949 2.749 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 111.071 2.871 . 0.519 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.028 2.828 . 0.106 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 110.92 2.72 . 0.234 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.444 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.039 0 O4'-C1'-N19 111.122 2.922 . 0.264 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.444 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.506 3.34 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.264 3.064 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.403 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 O4'-C1'-N19 111.605 3.405 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.403 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 O4'-C1'-N19 110.997 2.797 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 O4'-C1'-N19 110.813 2.613 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.434 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 O4'-C1'-N19 111.222 3.022 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C3'-C2'-C1' 104.174 2.971 . 0.423 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.434 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C5'-C4'-C3' 111.585 -2.61 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 110.864 2.664 . 0.881 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.001 0 O4'-C1'-N19 111.225 3.025 . 0.628 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.027 2.827 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.116 2.916 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 O4'-C1'-N19 110.9 2.7 . 0.365 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.808 0 O4'-C1'-N19 111.036 2.836 . 0.543 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 111.019 2.819 . 0.146 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.818 0 O4'-C1'-N19 110.9 2.7 . 0.344 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.425 ' N2 ' ' O ' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 O4'-C1'-N19 110.839 2.639 . 0.321 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.552 ' N3 ' ' CZ ' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 112.093 -2.271 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.539 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.81 0 O4'-C1'-N19 110.926 2.726 . 0.173 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.539 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O4'-C1'-N19 110.877 2.677 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.998 0 O4'-C1'-N19 111.382 3.182 . 0.388 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 111.381 3.181 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.192 2.992 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.211 3.011 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 O4'-C1'-N19 110.927 2.727 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t 58.68 70.31 1.21 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 120.969 -1.082 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 162.17 28.58 Favored 'Trans proline' 0 C--N 1.322 -0.847 0 C-N-CA 121.898 1.732 . . . . 0.0 110.354 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.16 -179.1 2.23 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.061 -1.025 . . . . 0.0 109.431 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -126.07 103.09 7.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.01 -1.057 . . . . 0.0 109.524 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.77 151.27 37.5 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.093 -1.005 . . . . 0.0 109.196 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.22 130.83 10.4 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.813 1.675 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -132.73 -177.02 4.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.061 -1.025 . . . . 0.0 109.405 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.9 OUTLIER -102.49 33.98 2.95 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 86.9 m -167.95 118.76 0.82 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.934 -1.104 . . . . 0.0 110.024 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.9 pt -83.08 169.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.923 -1.111 . . . . 0.0 109.155 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' CZ ' ' N3 ' ' B' ' 43' ' ' ' C' . 22.2 t80 -137.75 143.62 41.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.0 109.251 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -133.07 147.01 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -143.13 -175.24 4.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.021 -1.049 . . . . 0.0 109.471 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.36 50.28 4.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.934 -1.104 . . . . 0.0 109.372 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 -178.34 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.025 -1.047 . . . . 0.0 109.317 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -92.07 149.49 21.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.582 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.07 37.88 1.77 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -111.43 -55.36 2.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.919 -1.113 . . . . 0.0 109.368 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -56.1 155.64 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.132 -0.98 . . . . 0.0 108.854 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.72 -166.58 1.51 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 110.137 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -85.38 -35.92 21.05 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.959 -1.088 . . . . 0.0 110.602 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.03 -38.83 86.62 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.948 -1.095 . . . . 0.0 108.56 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 mm-40 -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.981 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -51.26 -36.84 43.97 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.113 -0.992 . . . . 0.0 110.499 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -68.57 -42.36 78.41 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.888 -1.132 . . . . 0.0 109.333 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -57.06 -33.25 67.05 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.023 -1.048 . . . . 0.0 110.59 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m -75.4 -48.73 21.56 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.718 -1.239 . . . . 0.0 110.434 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.4 mt -53.38 -33.15 52.62 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.923 -1.111 . . . . 0.0 110.752 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 34' ' ' SER . 14.3 t-80 -76.44 -41.38 47.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.776 -1.203 . . . . 0.0 109.929 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.21 68.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.115 -0.991 . . . . 0.0 110.964 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -83.63 -54.82 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 120.654 -1.278 . . . . 0.0 111.385 -178.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.56 48.17 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.742 -1.224 . . . . 0.0 110.871 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 2.7 p -116.46 -57.37 2.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 109.566 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.52 -33.77 15.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.995 -1.065 . . . . 0.0 110.658 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.32 -63.54 1.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.76 -1.212 . . . . 0.0 109.382 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.83 -120.73 1.57 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -130.16 143.35 50.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.013 -1.286 . . . . 0.0 109.487 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.2 mt -108.2 112.56 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.046 -1.034 . . . . 0.0 109.55 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -41.6 85.4 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.013 -1.055 . . . . 0.0 109.184 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 165.31 1.51 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.073 -1.017 . . . . 0.0 110.635 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.6 mt -132.25 127.46 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 108.89 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.14 141.4 35.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.989 -1.07 . . . . 0.0 110.119 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.99 122.49 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.971 . . . . 0.0 108.839 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.89 162.3 14.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.948 -1.095 . . . . 0.0 109.968 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.02 34.59 5.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.086 -1.008 . . . . 0.0 110.088 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 p -100.68 170.14 8.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.887 -1.133 . . . . 0.0 108.947 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' N2 ' ' B' ' 42' ' ' ' G' . 5.5 tt -53.82 -59.37 4.71 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.814 -1.179 . . . . 0.0 110.042 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -56.13 -36.76 68.59 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.953 -1.092 . . . . 0.0 109.866 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -99.78 47.25 0.95 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.796 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -110.57 131.2 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.888 -1.132 . . . . 0.0 109.344 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.23 40.87 94.96 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -170.86 147.47 2.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.299 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.95 178.73 7.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.022 -1.049 . . . . 0.0 110.067 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 14.8 m-85 -128.06 139.24 52.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.063 -1.023 . . . . 0.0 109.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 142.7 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.987 -1.07 . . . . 0.0 109.52 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.4 mt -121.88 147.98 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.037 . . . . 0.0 109.211 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 95.5 m-85 -123.38 152.86 41.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -50.21 -39.43 44.27 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.001 -1.062 . . . . 0.0 109.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -125.39 175.79 7.24 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.058 -1.026 . . . . 0.0 109.48 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -81.74 -37.42 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.1 -1.0 . . . . 0.0 109.801 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -59.06 -30.57 68.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.011 -1.055 . . . . 0.0 110.599 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -67.83 -36.23 80.01 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.653 -1.28 . . . . 0.0 110.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' CB ' ' CD2' ' A' ' 58' ' ' PHE . . . -73.29 -28.33 62.05 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.841 -1.162 . . . . 0.0 109.637 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.0 m -70.45 -36.98 74.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.057 . . . . 0.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.9 -39.18 76.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.81 -1.181 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.0 82.37 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.993 -1.067 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -41.05 83.51 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.856 -1.152 . . . . 0.0 110.0 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -70.95 -22.08 62.26 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.954 -1.091 . . . . 0.0 111.296 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 p -78.04 -38.14 45.23 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.544 -1.347 . . . . 0.0 110.014 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mmm -110.33 38.7 2.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.49 103.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.92 -1.113 . . . . 0.0 108.903 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.6 64.78 3.81 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.48 165.69 29.53 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.055 -1.262 . . . . 0.0 109.441 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.05 139.64 17.33 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.833 1.689 . . . . 0.0 110.319 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 23.3 t80 -134.03 -60.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 109.455 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 2.8 m-85 -112.53 66.76 0.65 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.06 42.34 19.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.022 -1.049 . . . . 0.0 109.77 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.37 156.59 0.83 Allowed Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 121.013 -1.055 . . . . 0.0 110.268 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.42 146.08 24.31 Favored 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.848 1.699 . . . . 0.0 110.128 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.14 138.79 16.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.33 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -102.36 146.32 28.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 108.863 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -107.48 138.25 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.03 -1.044 . . . . 0.0 110.142 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.74 141.64 38.87 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -51.69 176.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.797 -1.189 . . . . 0.0 109.926 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.19 170.54 9.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.979 -1.076 . . . . 0.0 109.49 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -92.08 -41.24 10.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 109.447 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 p -96.46 174.46 6.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.097 -1.002 . . . . 0.0 109.41 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -99.11 147.42 25.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.081 -1.012 . . . . 0.0 109.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -58.47 143.31 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.035 -1.04 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.76 -36.01 43.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.08 -1.013 . . . . 0.0 109.782 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.54 -24.79 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.854 -1.154 . . . . 0.0 109.575 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -44.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.411 -1.43 . . . . 0.0 107.253 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.07 38.05 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.374 -0.829 . . . . 0.0 110.12 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -57.58 -47.71 81.37 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.866 -1.147 . . . . 0.0 109.289 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.68 172.49 1.62 Allowed 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.46 16.96 10.56 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -175.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.41 -98.67 0.76 Allowed Glycine 0 N--CA 1.476 1.338 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -178.28 49.39 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.065 -1.256 . . . . 0.0 110.271 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.71 89.51 5.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.016 -1.052 . . . . 0.0 109.109 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 N--CA 1.486 1.352 0 O-C-N 121.023 -1.048 . . . . 0.0 109.347 -179.651 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 110.916 2.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.124 0 O4'-C1'-N19 111.062 2.862 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.409 " O2'" " O4'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-C3' 111.666 -2.556 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.436 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 O4'-C1'-N19 110.933 2.733 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.436 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.006 0 O4'-C1'-N19 111.258 3.058 . 0.024 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.448 " C5'" ' OP2' ' B' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.111 0 C3'-C2'-C1' 104.845 3.717 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.51 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C3'-C2'-C1' 104.667 3.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.51 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.076 2.876 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 O4'-C1'-N19 111.363 3.163 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 O4'-C1'-N19 110.963 2.763 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.465 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C3'-C2'-C1' 104.234 3.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . 0.452 ' OP2' ' N4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C3'-C2'-C1' 104.259 3.066 . 0.021 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.547 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 C5'-C4'-C3' 111.436 -2.709 . 0.322 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.553 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C3'-C2'-C1' 104.312 3.124 . 0.312 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.553 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.322 0 O4'-C1'-N19 111.191 2.991 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.515 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 O4'-C1'-N19 111.268 3.068 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.515 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C3'-C2'-C1' 104.088 2.875 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.035 2.835 . 0.355 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.876 0 O4'-C1'-N19 111.054 2.854 . 0.419 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.419 " O2'" ' OP1' ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.346 3.146 . 0.378 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.419 ' OP1' " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.992 0 C5'-C4'-C3' 111.471 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 O4'-C1'-N19 110.873 2.673 . 0.505 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.462 ' C2 ' ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.431 -1.842 0 O4'-C1'-N19 110.836 2.636 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.541 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.611 1.784 0 O4'-C1'-N19 110.91 2.71 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.54 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 O4'-C1'-N19 110.93 2.73 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.023 0 O4'-C1'-N19 111.335 3.135 . 0.444 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.482 3.282 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 111.141 2.941 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C5'-C4'-C3' 111.681 -2.546 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.042 0 O4'-C1'-N19 111.097 2.897 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.92 75.49 48.45 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 109.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.04 177.95 8.17 Favored 'Trans proline' 0 C--N 1.323 -0.783 0 C-N-CA 121.879 1.719 . . . . 0.0 110.411 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.59 -37.91 22.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.088 -1.007 . . . . 0.0 109.88 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -90.66 91.52 8.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.026 -1.046 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -56.34 154.16 17.18 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.079 -1.013 . . . . 0.0 109.455 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.05 127.51 8.53 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 121.856 1.704 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -100.64 -177.7 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.02 -1.05 . . . . 0.0 109.396 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -99.96 25.94 6.86 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.01 -1.056 . . . . 0.0 110.74 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 97.3 m -169.7 117.43 0.59 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.671 -1.268 . . . . 0.0 110.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 19.5 pt -72.02 172.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.913 -1.117 . . . . 0.0 108.348 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 69.2 t80 -147.54 143.55 27.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.964 -1.085 . . . . 0.0 109.656 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.43 132.17 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -129.18 -178.48 4.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t30 58.97 50.91 7.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.993 -1.067 . . . . 0.0 109.118 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -88.81 -177.23 5.46 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.023 -1.048 . . . . 0.0 109.492 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.79 149.01 24.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.084 -1.01 . . . . 0.0 109.25 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.06 56.07 2.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.008 . . . . 0.0 109.549 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -153.52 38.79 0.49 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.976 -1.077 . . . . 0.0 109.652 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mm -105.47 154.66 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.078 -1.014 . . . . 0.0 108.655 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -97.02 21.84 9.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.057 -1.027 . . . . 0.0 112.009 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 75.57 -75.11 0.07 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.022 0.828 . . . . 0.0 112.258 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.3 -34.46 72.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.411 -1.431 . . . . 0.0 108.288 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.92 -41.45 97.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.967 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -39.65 70.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.0 -1.062 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -68.36 -35.25 77.45 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.922 -1.111 . . . . 0.0 110.228 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -26.54 66.03 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.819 -1.176 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 8.6 t -81.24 -41.98 21.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.689 -1.257 . . . . 0.0 110.426 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.4 -49.31 74.31 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' OG ' ' A' ' 34' ' ' SER . 8.2 t-160 -67.13 -15.76 63.91 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.176 -0.953 . . . . 0.0 111.545 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.51 19.45 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.232 -1.543 . . . . 0.0 111.012 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.32 -54.83 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 120.72 -1.238 . . . . 0.0 111.473 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 28.2 m-85 -66.32 -36.99 84.32 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.83 -1.169 . . . . 0.0 110.983 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 96.4 p -52.78 -34.23 52.32 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.692 -1.255 . . . . 0.0 110.4 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -50.79 -50.33 56.32 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.625 -1.297 . . . . 0.0 110.058 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -60.12 -56.98 14.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.046 -1.034 . . . . 0.0 109.467 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.54 16.19 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.09 132.45 33.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.015 -1.285 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mt -90.73 129.66 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.063 -1.023 . . . . 0.0 109.11 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.82 4.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.127 -0.983 . . . . 0.0 109.472 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.01 144.07 17.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.057 -1.027 . . . . 0.0 110.23 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -115.55 125.4 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -107.98 136.31 47.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.911 -1.118 . . . . 0.0 110.233 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 m -130.49 121.91 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.786 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -112.67 156.14 23.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.12 . . . . 0.0 109.921 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -127.64 38.32 4.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.111 -0.993 . . . . 0.0 109.743 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.8 p -85.55 -174.14 5.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 109.176 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.415 ' CD2' " O2'" ' B' ' 40' ' ' ' U' . 1.4 tt -62.25 -41.33 98.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.929 -1.107 . . . . 0.0 109.514 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -74.57 -39.86 62.01 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.095 -1.003 . . . . 0.0 109.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.19 59.03 2.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.021 -1.049 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 46.95 0.93 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.952 -1.092 . . . . 0.0 109.41 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.27 60.65 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' OH ' ' A' ' 12' ' ' TYR . 10.5 pt20 -175.92 153.06 1.3 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.098 -1.236 . . . . 0.0 110.105 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.33 152.95 39.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.937 -1.102 . . . . 0.0 110.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 41.1 m-85 -110.39 137.43 48.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.029 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG1' ' CE1' ' A' ' 58' ' ' PHE . 23.4 t -120.62 127.16 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.996 -1.065 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.7 mt -104.58 149.99 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.991 -1.068 . . . . 0.0 109.109 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CE1' ' CG1' ' A' ' 56' ' ' VAL . 18.1 m-85 -131.53 140.25 49.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 0.0 109.601 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -54.49 114.47 1.68 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.129 -0.982 . . . . 0.0 109.49 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 70.25 145.07 0.06 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.193 -0.942 . . . . 0.0 109.722 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.6 t -74.81 93.31 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.138 -0.976 . . . . 0.0 109.205 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -54.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.139 -0.976 . . . . 0.0 109.395 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 m -62.55 -40.07 95.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.165 -0.959 . . . . 0.0 108.417 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.29 73.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 108.199 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.8 m -57.88 -43.2 85.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.531 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.12 -44.53 91.97 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.044 -1.035 . . . . 0.0 108.556 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.83 -32.95 33.84 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.104 -0.998 . . . . 0.0 110.099 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -44.08 65.17 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 108.995 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 56.07 1.9 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 109.248 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 -56.56 0.06 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.101 -0.999 . . . . 0.0 110.057 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.3 mtp -105.2 37.18 2.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.056 -1.028 . . . . 0.0 109.688 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -59.17 102.92 0.14 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.875 -1.141 . . . . 0.0 109.095 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.46 66.01 2.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -110.22 171.1 4.66 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.25 . . . . 0.0 109.641 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.25 143.82 20.21 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.926 1.751 . . . . 0.0 110.625 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -157.55 109.3 2.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 58.01 42.05 23.27 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.38 68.98 0.72 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.019 -1.05 . . . . 0.0 109.748 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.9 144.34 0.29 Allowed Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 120.947 -1.095 . . . . 0.0 109.952 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 131.85 10.46 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.576 1.517 . . . . 0.0 110.106 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -137.61 119.74 15.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.983 -1.073 . . . . 0.0 110.047 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.65 148.72 24.68 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.114 -0.991 . . . . 0.0 108.878 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -105.4 135.49 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.177 -0.952 . . . . 0.0 110.345 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.75 136.32 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -49.79 174.45 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.876 -1.14 . . . . 0.0 110.418 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.95 -176.77 5.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' CG ' ' C2 ' ' B' ' 43' ' ' ' C' . 0.0 OUTLIER -92.14 -43.63 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.9 p -115.69 179.72 3.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.994 -1.066 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 62.7 m-20 -81.13 179.04 8.04 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.085 -1.01 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -94.88 151.96 18.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.041 -1.037 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.49 -22.74 23.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.049 -1.032 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pt -57.7 -24.23 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.579 -1.326 . . . . 0.0 109.576 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.59 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.508 -1.37 . . . . 0.0 107.698 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.62 -37.08 57.71 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.012 -1.055 . . . . 0.0 109.613 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -70.91 -36.47 72.72 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.807 -1.183 . . . . 0.0 110.68 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.406 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.8 mmt -64.91 -25.05 67.72 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.396 -0.815 . . . . 0.0 110.598 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -46.88 -34.99 5.9 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.721 -1.237 . . . . 0.0 109.269 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.42 -45.34 0.21 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.6 t -179.08 54.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.976 -1.308 . . . . 0.0 110.264 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -58.42 -41.68 85.53 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.934 -1.104 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.5 2.027 0 O-C-N 120.862 -1.149 . . . . 0.0 110.158 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.857 0 O4'-C1'-N19 110.994 2.794 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.099 2.899 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 110.9 2.7 . 0.193 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.541 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.965 0 O4'-C1'-N19 110.863 2.663 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.446 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.942 0 O4'-C1'-N19 111.102 2.902 . 0.328 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.446 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-C3' 111.516 -2.656 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.569 3.369 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.469 ' N3 ' ' C2 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 O4'-C1'-N19 111.107 2.907 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 111.116 2.916 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.444 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C3'-C2'-C1' 104.662 3.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C3'-C2'-C1' 104.228 3.031 . 0.106 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.543 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.419 -2.721 . 0.384 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.547 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C3'-C2'-C1' 103.924 2.693 . 0.536 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.547 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.108 0 O4'-C1'-N19 111.099 2.899 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 O4'-C1'-N19 111.153 2.953 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.469 ' C2 ' ' N3 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.152 2.952 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 O4'-C1'-N19 110.958 2.758 . 0.332 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.838 0 O4'-C1'-N19 110.953 2.753 . 0.437 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.006 0 O4'-C1'-N19 111.321 3.121 . 0.279 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.825 0 O4'-C1'-N19 110.847 2.647 . 0.026 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.462 ' N2 ' ' CB ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 O4'-C1'-N19 110.841 2.641 . 0.086 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.847 0 O4'-C1'-N19 110.866 2.666 . 0.057 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.541 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.738 0 O4'-C1'-N19 110.935 2.735 . 0.055 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.541 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.243 3.043 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.359 3.159 . 0.401 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.094 2.894 . 0.039 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.541 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 O4'-C1'-N19 110.974 2.774 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 111.364 3.164 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 O4'-C1'-N19 111.004 2.804 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.9 t -116.82 139.38 25.59 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.06 126.64 7.19 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 121.649 1.566 . . . . 0.0 110.361 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -86.08 -173.35 4.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.064 -1.022 . . . . 0.0 109.537 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -95.5 107.51 19.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -94.48 155.9 39.15 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.002 -1.061 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.95 109.45 2.72 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 121.847 1.698 . . . . 0.0 110.444 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 109.374 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.81 -37.85 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.149 -0.969 . . . . 0.0 109.948 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' OG1' ' OG ' ' A' ' 90' ' ' SER . 94.0 m -106.82 153.01 23.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.099 . . . . 0.0 110.215 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.463 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.4 pt -113.12 158.56 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 0.0 108.814 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -125.51 150.02 47.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.064 -1.023 . . . . 0.0 109.773 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.25 141.42 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 108.979 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -142.71 -176.49 4.89 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.008 -1.057 . . . . 0.0 109.548 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 61.57 43.64 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.938 -1.101 . . . . 0.0 109.289 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.2 mt -100.33 -171.52 2.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.026 -1.046 . . . . 0.0 109.266 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -83.08 152.27 25.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.006 -1.059 . . . . 0.0 109.122 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.23 35.45 2.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.339 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -150.93 35.83 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.882 -1.136 . . . . 0.0 110.108 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 17.9 mm -93.77 154.5 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.861 -1.149 . . . . 0.0 110.071 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -84.13 -178.43 6.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -87.31 -40.7 14.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.996 -1.065 . . . . 0.0 109.092 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -25.77 57.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 108.764 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 41.7 mt-10 -75.96 -45.36 35.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.868 -1.145 . . . . 0.0 110.011 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.3 -31.28 70.6 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.853 -1.154 . . . . 0.0 110.736 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -77.49 -27.1 51.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.7 -1.25 . . . . 0.0 110.359 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -77.32 -28.72 53.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.615 -1.303 . . . . 0.0 110.102 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -81.05 -39.91 25.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.697 -1.252 . . . . 0.0 110.174 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -55.66 7.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.925 -1.11 . . . . 0.0 109.6 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -53.31 -27.76 24.73 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.231 -0.918 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.88 -69.63 0.53 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.651 -1.281 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CD1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.83 -59.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.002 -1.061 . . . . 0.0 112.005 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 81.4 m-85 -60.05 -37.93 81.29 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.86 -1.15 . . . . 0.0 110.711 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 t -54.41 -36.24 63.76 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.773 -1.204 . . . . 0.0 110.516 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.04 50.52 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.788 -1.195 . . . . 0.0 110.194 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -63.65 -55.8 20.74 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.36 -161.84 10.34 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -88.19 149.33 23.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.042 -1.269 . . . . 0.0 109.208 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.89 116.38 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.92 -40.35 80.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.065 -1.022 . . . . 0.0 109.797 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.22 162.12 0.8 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.008 -1.057 . . . . 0.0 110.488 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.0 mt -127.41 145.67 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.101 -0.999 . . . . 0.0 109.132 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.66 126.35 51.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.99 -1.069 . . . . 0.0 109.729 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 t -118.35 160.59 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.183 -0.948 . . . . 0.0 108.628 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.86 157.28 43.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.962 -1.086 . . . . 0.0 109.823 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -128.38 37.06 4.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.025 -1.047 . . . . 0.0 109.684 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.5 p -103.53 173.89 6.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.962 -1.086 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.02 -58.57 6.32 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 109.763 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -55.78 -42.68 75.88 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.046 -1.034 . . . . 0.0 109.794 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mmm -101.47 62.07 0.93 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.995 -1.066 . . . . 0.0 109.357 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -116.28 128.01 55.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.944 -1.098 . . . . 0.0 109.525 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.89 40.06 31.72 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -155.16 151.63 28.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.267 . . . . 0.0 109.885 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.74 153.03 38.74 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.004 -1.06 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 34.1 m-85 -113.93 135.55 53.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.002 -1.061 . . . . 0.0 109.388 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.99 132.02 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.892 -1.13 . . . . 0.0 109.31 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.63 121.54 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.13 147.8 25.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.085 -1.009 . . . . 0.0 109.097 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -54.09 -39.31 66.22 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.96 -1.088 . . . . 0.0 109.605 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.66 159.53 34.41 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.08 -1.012 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.35 -34.8 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.129 -0.982 . . . . 0.0 109.993 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -60.97 -37.92 84.12 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.98 -1.075 . . . . 0.0 109.91 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -34.53 72.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.802 -1.186 . . . . 0.0 110.342 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.64 56.0 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.787 -1.196 . . . . 0.0 109.752 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 m -63.84 -40.79 97.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.842 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.2 -40.86 64.42 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.383 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -25.8 65.48 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.009 -1.057 . . . . 0.0 110.754 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -37.89 17.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.543 -1.348 . . . . 0.0 110.456 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -40.22 84.56 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.827 -1.171 . . . . 0.0 109.428 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -85.56 -26.75 25.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.057 -1.027 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.6 mmm -101.28 33.71 2.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.556 -1.34 . . . . 0.0 110.318 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -78.19 98.12 5.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.831 -1.168 . . . . 0.0 108.469 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.5 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.48 164.62 15.86 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.269 . . . . 0.0 109.864 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -79.89 114.54 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.999 1.799 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.91 114.76 16.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.132 -0.98 . . . . 0.0 108.438 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.45 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 88.5 m-85 60.05 42.5 15.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.207 -0.933 . . . . 0.0 109.895 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.84 68.97 0.76 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.103 -0.998 . . . . 0.0 110.756 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 tttp 179.34 141.0 0.29 Allowed Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 120.899 -1.126 . . . . 0.0 110.187 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 114.97 3.66 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.409 1.406 . . . . 0.0 109.706 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.13 127.4 45.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 0.0 110.485 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.7 146.6 24.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.11 -0.994 . . . . 0.0 108.572 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -105.11 134.86 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.955 -1.091 . . . . 0.0 110.396 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.2 135.31 49.53 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -50.44 137.61 18.68 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 120.852 -1.155 . . . . 0.0 110.134 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 176.0 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.072 -1.018 . . . . 0.0 109.69 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -92.88 -41.65 9.94 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 0.0 109.793 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.9 p -113.04 179.58 3.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.647 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 21.0 m-20 -83.04 -177.6 6.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.078 -1.014 . . . . 0.0 109.203 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.496 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 0.4 OUTLIER -99.96 140.57 34.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.04 -31.34 70.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.182 -0.949 . . . . 0.0 110.455 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -63.26 -25.9 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.696 -1.252 . . . . 0.0 109.257 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' CE ' ' A' ' 96' ' ' MET . 1.6 mp -70.31 -38.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.57 3.4 52.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.991 -1.068 . . . . 0.0 110.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.77 4.25 4.55 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.35 -1.469 . . . . 0.0 113.995 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.417 ' CE ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -83.83 -40.55 18.55 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.529 -1.357 . . . . 0.0 108.75 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -72.3 -20.1 61.56 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.77 -47.06 1.04 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 106.594 -2.603 . . . . 0.0 106.594 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 t 165.91 91.6 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.771 -0.841 . . . . 0.0 109.719 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.1 t80 45.45 64.4 1.44 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.153 -0.967 . . . . 0.0 111.085 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.022 -1.049 . . . . 0.0 109.11 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 O4'-C1'-N19 110.902 2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.527 ' C6 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 O4'-C1'-N19 110.978 2.778 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.527 ' C4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 O4'-C1'-N19 110.899 2.699 . 0.135 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.517 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 O4'-C1'-N19 110.876 2.676 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.455 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.905 0 O4'-C1'-N19 111.187 2.987 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 O4'-C1'-N19 111.03 2.83 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.43 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.481 3.281 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.128 0 O4'-C1'-N19 111.676 3.476 . 0.054 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 110.976 2.776 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 110.851 2.651 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.403 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 111.139 2.939 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C3'-C2'-C1' 104.241 3.046 . 0.254 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.403 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.997 0 C5'-C4'-C3' 111.676 -2.549 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 110.889 2.689 . 0.89 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.12 0 O4'-C1'-N19 111.157 2.957 . 0.622 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.423 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.187 2.987 . 0.386 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.423 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.923 0 O4'-C1'-N19 111.175 2.975 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 O4'-C1'-N19 110.933 2.733 . 0.368 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.768 0 O4'-C1'-N19 111.052 2.852 . 0.326 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.065 2.865 . 0.039 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.44 " O4'" ' C6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-N19 110.99 2.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.447 ' N7 ' ' OD1' ' A' ' 14' ' ' ASN . . . . . . . . 0 O4'--C1' 1.438 2.031 0 O4'-C1'-N19 110.746 2.546 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.917 0 O4'-C1'-N19 110.857 2.657 . 0.022 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.885 0 O4'-C1'-N19 110.988 2.788 . 0.167 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C5'-C4'-C3' 111.56 -2.627 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 110.957 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.369 3.169 . 0.018 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.517 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.027 2.827 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.198 2.998 . 0.264 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.943 2.743 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 11.0 t -73.47 -46.38 7.54 Favored Pre-proline 0 N--CA 1.499 1.984 0 O-C-N 120.998 -1.064 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.2 Cg_endo -79.15 90.31 1.28 Allowed 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.093 1.195 . . . . 0.0 110.388 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -82.57 -38.84 23.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.959 -1.088 . . . . 0.0 109.772 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 59.27 2.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 109.545 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.437 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -61.7 -52.74 66.91 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.991 -1.068 . . . . 0.0 108.489 179.262 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 6' ' ' ARG . 39.6 Cg_endo -85.22 164.71 11.23 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 121.672 1.581 . . . . 0.0 110.76 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -171.5 162.0 6.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.33 -0.856 . . . . 0.0 110.29 179.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.463 ' O ' ' OG1' ' A' ' 10' ' ' THR . 2.1 t-160 -100.82 33.37 2.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.891 -1.131 . . . . 0.0 110.377 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 51.1 m -168.66 141.26 2.83 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.812 -1.18 . . . . 0.0 110.125 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 pt -106.36 169.56 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.863 -1.148 . . . . 0.0 108.848 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 13.8 t80 -157.09 125.66 5.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 109.904 -178.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -106.04 143.32 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.184 -0.948 . . . . 0.0 108.669 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' OD1' ' N7 ' ' B' ' 42' ' ' ' G' . 29.1 t30 -129.87 48.93 2.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.973 -1.08 . . . . 0.0 109.843 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -147.05 46.26 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.064 -1.022 . . . . 0.0 109.169 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.38 179.2 5.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.0 109.541 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -102.24 165.06 11.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.076 -1.015 . . . . 0.0 109.209 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -97.12 48.26 1.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.367 -0.833 . . . . 0.0 109.844 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.27 37.86 0.49 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.906 -1.121 . . . . 0.0 109.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 11.4 mm -92.54 158.83 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.022 -1.049 . . . . 0.0 109.477 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -99.97 27.85 5.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt 65.97 -83.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.368 -0.832 . . . . 0.0 112.277 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.99 -27.95 55.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.225 -1.547 . . . . 0.0 108.853 179.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.36 -44.99 85.89 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.036 -1.04 . . . . 0.0 109.528 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.51 -16.26 64.11 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.944 -1.098 . . . . 0.0 111.39 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -84.48 -34.11 23.46 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.456 -1.402 . . . . 0.0 109.711 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -71.59 -36.49 70.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.782 -1.199 . . . . 0.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -76.97 -40.62 46.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.823 -1.173 . . . . 0.0 109.552 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.68 -30.33 71.31 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.979 -1.076 . . . . 0.0 110.818 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -72.63 -41.28 65.69 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 110.044 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.75 70.73 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.104 -0.997 . . . . 0.0 110.171 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -51.08 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.926 -1.109 . . . . 0.0 110.568 -178.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.66 36.88 1.33 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.007 -1.058 . . . . 0.0 111.716 -178.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -111.0 -49.47 3.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.692 -1.255 . . . . 0.0 109.989 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ptm85 -48.21 -28.94 3.31 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.75 -1.218 . . . . 0.0 111.507 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.43 53.68 2.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.586 -1.322 . . . . 0.0 110.85 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.26 -155.82 16.03 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.612 -1.305 . . . . 0.0 110.353 178.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -113.37 150.22 32.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.175 -1.191 . . . . 0.0 109.472 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.79 115.37 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.109 -0.995 . . . . 0.0 109.492 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -57.58 -43.66 84.74 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.992 -1.067 . . . . 0.0 109.464 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.01 166.75 1.6 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.024 -1.047 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.47 123.99 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 0.0 109.188 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mp -99.94 134.71 42.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.043 -1.036 . . . . 0.0 109.77 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.4 t -136.1 160.33 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.15 -0.969 . . . . 0.0 108.725 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.37 168.6 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.018 -1.051 . . . . 0.0 110.262 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -129.89 39.29 3.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.977 -1.077 . . . . 0.0 109.712 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.43 ' OG ' ' OP1' ' B' ' 25' ' ' ' G' . 50.5 p -90.27 -179.86 5.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.953 -1.092 . . . . 0.0 109.393 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.82 -50.8 54.76 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.998 -1.063 . . . . 0.0 109.485 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.57 -40.0 74.44 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.074 -1.016 . . . . 0.0 109.77 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 mtm -107.27 63.72 0.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.56 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.23 40.44 1.46 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.871 -1.143 . . . . 0.0 109.437 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.93 55.65 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -170.25 152.97 4.29 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.054 -1.262 . . . . 0.0 109.621 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.08 153.71 50.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.89 -1.131 . . . . 0.0 110.062 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 12' ' ' TYR . 73.6 m-85 -115.63 135.44 54.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.007 -1.058 . . . . 0.0 109.116 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.99 148.54 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.965 -1.084 . . . . 0.0 109.405 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.04 148.16 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 0.0 109.176 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 27.7 m-85 -120.73 155.9 32.94 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.979 -1.076 . . . . 0.0 109.729 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -54.28 -39.9 67.33 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.005 -1.059 . . . . 0.0 109.439 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -124.13 176.74 6.2 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.137 -0.977 . . . . 0.0 109.23 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG2' ' ND1' ' A' ' 9' ' ' HIS . 48.4 t -81.33 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.6 p -56.7 -30.89 63.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.95 -1.094 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -67.58 -39.28 84.87 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.712 -1.243 . . . . 0.0 110.22 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.74 -24.12 60.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.912 -1.117 . . . . 0.0 109.595 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.03 -40.96 74.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.885 -1.134 . . . . 0.0 109.042 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.09 -42.5 94.01 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.054 -1.029 . . . . 0.0 108.668 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.48 -37.94 68.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.972 -1.08 . . . . 0.0 109.433 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.08 -40.32 94.46 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.617 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -94.27 55.88 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.892 -1.13 . . . . 0.0 109.472 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -149.3 -60.07 0.22 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.043 -1.036 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.5 mmm -109.88 38.37 2.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.081 -1.012 . . . . 0.0 109.337 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -67.43 109.07 3.04 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.905 -1.122 . . . . 0.0 109.154 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.14 59.9 4.06 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -131.31 157.7 77.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.093 -1.24 . . . . 0.0 109.647 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.89 131.44 10.09 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.965 1.777 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -127.62 -59.86 1.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -0.99 . . . . 0.0 109.229 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.431 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 3.0 m-85 -112.96 63.71 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.075 -1.016 . . . . 0.0 109.318 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.21 41.33 10.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.985 -1.072 . . . . 0.0 109.739 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -178.66 152.45 0.76 Allowed Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.104 -0.997 . . . . 0.0 110.063 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.4 149.73 27.84 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.731 1.621 . . . . 0.0 110.192 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -146.82 147.73 31.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.992 -1.067 . . . . 0.0 110.183 -179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -107.03 156.44 18.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.938 . . . . 0.0 109.534 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.8 mm -109.36 129.52 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.06 -1.025 . . . . 0.0 110.049 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.55 133.11 22.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.975 -1.078 . . . . 0.0 108.807 179.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -53.96 171.14 0.11 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.684 -1.26 . . . . 0.0 109.114 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' CB ' ' N6 ' ' B' ' 44' ' ' ' A' . . . -81.6 -171.09 3.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.008 -1.058 . . . . 0.0 108.958 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -43.29 20.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.962 -1.086 . . . . 0.0 109.38 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -123.65 179.24 4.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.987 -1.071 . . . . 0.0 109.724 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -66.54 -174.14 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.086 -1.008 . . . . 0.0 108.888 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 144.15 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.944 -1.097 . . . . 0.0 109.065 179.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.92 -39.38 87.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.009 -1.057 . . . . 0.0 110.163 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 pt -58.75 -26.95 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.897 -1.127 . . . . 0.0 110.24 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.7 mp -76.36 -35.49 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 120.448 -1.407 . . . . 0.0 108.659 178.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.35 -28.41 12.29 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.766 -1.209 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -85.51 -31.66 22.63 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.561 -1.337 . . . . 0.0 111.957 -178.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -38.96 85.39 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.106 -0.996 . . . . 0.0 110.145 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -52.47 -31.19 33.65 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.742 -1.224 . . . . 0.0 108.073 177.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.64 -41.31 0.22 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 178.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.0 t 178.09 -42.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.106 -1.232 . . . . 0.0 110.554 178.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -134.44 -60.85 0.79 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.691 -1.256 . . . . 0.0 109.718 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.5 2.059 0 O-C-N 120.917 -1.114 . . . . 0.0 110.164 -179.656 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.808 0 O4'-C1'-N19 110.972 2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.983 0 O4'-C1'-N19 111.052 2.852 . 0.098 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.022 2.822 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' N6 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 110.94 2.74 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.535 ' C6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.85 0 O4'-C1'-N19 111.243 3.043 . 0.404 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.445 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 O4'-C1'-N19 111.036 2.836 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.521 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C3'-C2'-C1' 104.621 3.467 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 O4'-C1'-N19 111.78 3.58 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 111.294 3.094 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.359 0 O4'-C1'-N19 111.245 3.045 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 O4'-C1'-N19 111.042 2.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 C3'-C2'-C1' 104.221 3.023 . 0.392 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.448 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C5'-C4'-C3' 111.669 -2.554 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.448 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 O4'-C1'-N19 110.932 2.732 . 0.879 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.08 2.88 . 0.599 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 111.139 2.939 . 0.153 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.019 2.819 . 0.22 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 O4'-C1'-N19 110.988 2.788 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 110.976 2.776 . 0.541 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.437 ' O2 ' ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 O4'-C1'-N19 111.161 2.961 . 0.084 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.462 " C1'" ' C6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.881 0 O4'-C1'-N19 110.884 2.684 . 0.128 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.462 ' C6 ' " C1'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.028 0 O4'-C1'-N19 110.755 2.555 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.467 ' N4 ' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 110.689 2.489 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.704 0 O4'-C1'-N19 110.841 2.641 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C5'-C4'-C3' 111.599 -2.601 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 110.973 2.773 . 0.011 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.575 3.375 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.099 0 O4'-C1'-N19 111.033 2.833 . 0.202 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.396 3.196 . 0.207 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 0 O4'-C1'-N19 110.923 2.723 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.15 72.5 71.49 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.086 -1.009 . . . . 0.0 109.473 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.93 135.08 13.76 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.795 1.663 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.79 179.36 0.06 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.401 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.82 -60.91 1.79 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.434 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 2.3 mmm-85 57.9 92.79 0.06 OUTLIER Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.404 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -76.0 144.61 27.25 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 121.634 1.556 . . . . 0.0 110.375 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.32 -70.14 0.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.015 . . . . 0.0 109.917 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 169.56 -44.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.166 -0.959 . . . . 0.0 109.167 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.508 ' OG1' ' OG ' ' A' ' 90' ' ' SER . 88.6 m -108.77 118.86 37.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 110.272 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.435 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.5 pt -76.29 171.24 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.954 -1.091 . . . . 0.0 108.608 178.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 52.8 t80 -136.62 117.71 14.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.95 -1.094 . . . . 0.0 109.964 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mt -90.01 151.31 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.021 -1.049 . . . . 0.0 108.924 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -141.01 160.34 40.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.046 -1.034 . . . . 0.0 109.746 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.69 49.31 0.4 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.863 -1.148 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.51 -177.07 6.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.952 -1.092 . . . . 0.0 109.32 179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -99.52 150.22 22.43 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.018 -1.051 . . . . 0.0 109.96 -179.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -105.59 61.3 0.67 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.131 -0.98 . . . . 0.0 109.474 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.9 -59.31 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.078 . . . . 0.0 109.55 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.475 ' CD1' ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -54.88 155.49 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 O-C-N 121.158 -0.964 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -170.35 3.03 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.225 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -82.82 -36.58 25.41 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.992 -1.067 . . . . 0.0 110.358 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.48 -37.99 77.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.9 -1.125 . . . . 0.0 108.683 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.46 -45.59 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.994 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -65.56 -17.8 64.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.267 -0.896 . . . . 0.0 111.13 179.654 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -77.41 -33.44 55.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.473 -1.392 . . . . 0.0 109.636 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.17 -27.7 63.71 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.717 -1.239 . . . . 0.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -81.95 -41.85 20.24 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.708 -1.245 . . . . 0.0 110.628 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.76 -58.79 3.47 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.798 -1.188 . . . . 0.0 109.849 -179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -52.55 -27.49 16.88 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.113 -0.992 . . . . 0.0 111.047 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.3 -69.13 0.52 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.634 -1.291 . . . . 0.0 110.355 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.29 -57.75 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.943 -1.098 . . . . 0.0 111.607 -178.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.435 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 32.8 m-85 -60.39 -37.59 81.26 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.843 -1.16 . . . . 0.0 110.673 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 t -55.11 -36.42 65.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.788 -1.195 . . . . 0.0 110.239 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -51.88 -46.11 64.38 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.728 -1.232 . . . . 0.0 110.048 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -52.76 -57.39 10.29 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.964 -1.085 . . . . 0.0 109.716 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.15 -120.25 0.92 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.83 130.63 50.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.244 . . . . 0.0 109.284 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.0 mt -95.03 136.72 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.008 -1.058 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mp -90.56 -41.13 11.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.032 -1.042 . . . . 0.0 109.421 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -161.14 160.17 29.91 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.064 -1.022 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.69 157.86 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.094 -1.004 . . . . 0.0 108.821 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.17 126.15 34.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.895 -1.128 . . . . 0.0 109.943 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.16 22.34 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.507 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -47.29 144.14 2.99 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.787 -1.196 . . . . 0.0 110.567 -179.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.433 ' O ' ' OG ' ' A' ' 47' ' ' SER . 16.5 mtm180 -97.81 -75.37 0.55 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 79.6 p 47.81 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.955 -1.091 . . . . 0.0 110.164 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.97 -37.05 27.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.498 -1.376 . . . . 0.0 109.571 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.03 -41.78 70.36 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.931 -1.105 . . . . 0.0 110.098 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.0 mmt -93.97 59.02 2.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.898 -1.126 . . . . 0.0 109.404 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -100.54 46.88 0.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.973 -1.08 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.38 58.56 0.03 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 1.1 pt20 -178.4 171.9 1.55 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.126 -1.22 . . . . 0.0 109.953 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.56 173.1 17.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.507 -1.371 . . . . 0.0 110.692 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CE2' ' C4 ' ' B' ' 44' ' ' ' A' . 51.7 m-85 -128.11 113.5 15.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.158 -0.964 . . . . 0.0 108.987 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.0 t -103.79 140.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.889 -1.132 . . . . 0.0 109.446 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mt -119.99 145.77 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.009 -1.057 . . . . 0.0 109.378 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -119.86 150.61 40.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.931 -1.105 . . . . 0.0 109.285 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -40.77 70.09 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.019 -1.051 . . . . 0.0 109.476 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.7 164.19 15.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.117 -0.99 . . . . 0.0 109.451 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -74.6 -38.7 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.061 -1.024 . . . . 0.0 109.691 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 p -60.3 -34.49 73.85 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.065 -1.022 . . . . 0.0 110.295 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -36.86 77.01 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.832 -1.167 . . . . 0.0 110.338 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.15 62.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.827 -1.17 . . . . 0.0 109.367 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -59.48 -38.77 81.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.986 -1.071 . . . . 0.0 109.436 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -36.85 66.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.959 -1.088 . . . . 0.0 109.479 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.15 -7.12 54.07 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.878 -1.139 . . . . 0.0 111.512 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -42.97 6.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.328 -1.482 . . . . 0.0 110.292 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -76.94 -40.23 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.918 -1.114 . . . . 0.0 109.858 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -63.16 -38.86 92.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.997 -1.065 . . . . 0.0 109.653 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -107.29 37.91 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.986 -1.071 . . . . 0.0 109.79 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 98.25 9.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.008 -1.057 . . . . 0.0 109.107 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.41 55.2 2.51 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -123.47 156.41 64.18 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.04 -1.27 . . . . 0.0 109.636 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.68 135.72 14.69 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.824 1.682 . . . . 0.0 110.093 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -137.12 -59.81 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.045 -1.035 . . . . 0.0 109.663 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.475 ' CE2' ' CD1' ' A' ' 20' ' ' ILE . 2.7 m-85 -110.62 66.78 0.63 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.029 -1.044 . . . . 0.0 109.825 -179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.3 40.33 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.0 109.907 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 178.72 155.98 0.59 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.963 -1.085 . . . . 0.0 110.135 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.99 147.49 23.99 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.893 1.729 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.57 137.9 24.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.984 -1.073 . . . . 0.0 109.853 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -101.28 150.98 22.42 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.985 . . . . 0.0 109.208 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.85 141.82 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.14 -0.975 . . . . 0.0 109.875 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.467 ' NE2' ' N4 ' ' B' ' 43' ' ' ' C' . 19.3 pt20 -146.93 135.78 22.25 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 109.019 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 30.7 m-85 -48.03 170.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.908 -1.12 . . . . 0.0 110.762 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.15 -170.1 2.94 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.076 -1.015 . . . . 0.0 109.591 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 12.7 mmtt -87.74 -46.9 9.07 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.18 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.7 p -122.31 179.62 4.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 109.818 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 11.6 m-20 -70.76 -179.31 2.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.091 -1.006 . . . . 0.0 109.208 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.508 ' OG ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -93.52 156.22 16.87 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.031 -1.043 . . . . 0.0 109.659 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.47 -32.76 23.82 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.011 . . . . 0.0 110.116 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.26 -27.26 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.719 -1.238 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 1.8 mp -79.11 -30.42 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 O-C-N 120.528 -1.357 . . . . 0.0 109.075 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.53 -30.87 14.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.584 -1.322 . . . . 0.0 110.349 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -93.49 -24.37 18.03 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.67 -1.269 . . . . 0.0 111.951 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.412 ' CE ' ' N ' ' A' ' 96' ' ' MET . 28.2 mmt -66.1 -29.34 69.65 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.948 -1.095 . . . . 0.0 110.354 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -35.23 6.04 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.793 -1.192 . . . . 0.0 109.094 178.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.98 -56.44 0.18 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 t 179.81 49.69 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.0 -1.294 . . . . 0.0 110.273 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 13.5 t80 43.92 37.4 1.7 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.12 -0.987 . . . . 0.0 111.275 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.499 2.009 0 O-C-N 120.988 -1.07 . . . . 0.0 110.14 -179.747 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.54 ' N2 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C3'-C2'-C1' 104.233 3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.54 ' C6 ' ' N2 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.626 3.426 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.511 ' N4 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 110.804 2.604 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.511 ' N6 ' ' N4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.972 2.772 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.439 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.843 0 O4'-C1'-N19 111.27 3.07 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.439 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C3'-C2'-C1' 103.959 2.733 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.54 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 C3'-C2'-C1' 104.426 3.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.54 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 O4'-C1'-N19 111.495 3.295 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 110.958 2.758 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.533 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.198 0 O4'-C1'-N19 111.546 3.346 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.533 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C3'-C2'-C1' 104.175 2.972 . 0.352 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.907 0 C5'-C4'-C3' 111.649 -2.567 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 110.875 2.675 . 0.907 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 O4'-C1'-N19 111.046 2.846 . 0.581 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.427 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.095 2.895 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.427 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.078 0 O4'-C1'-N19 111.139 2.939 . 0.24 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.162 2.962 . 0.339 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.893 0 O4'-C1'-N19 111.024 2.824 . 0.291 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.139 2.939 . 0.418 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.425 " O2'" ' OP2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.858 0 O4'-C1'-N19 110.94 2.74 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.432 ' C5 ' ' OE1' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 110.848 2.648 . 0.371 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.967 0 O4'-C1'-N19 110.927 2.727 . 0.017 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.535 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.985 0 O4'-C1'-N19 110.923 2.723 . 0.391 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.535 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 O4'-C1'-N19 110.922 2.722 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.973 0 O4'-C1'-N19 111.175 2.975 . 0.365 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.116 2.916 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.549 ' C6 ' ' N4 ' ' B' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C5'-C4'-C3' 111.77 -2.487 . 0.419 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . 0.549 ' N4 ' ' C6 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 111.317 3.117 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.33 3.13 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.56 63.17 10.51 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.074 -1.017 . . . . 0.0 109.516 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.19 -41.94 0.33 Allowed 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.722 1.615 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.23 -168.65 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.092 -1.005 . . . . 0.0 109.354 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.0 m 58.43 54.83 5.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.971 -1.08 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -50.52 160.38 0.75 Allowed Pre-proline 0 N--CA 1.504 2.239 0 O-C-N 121.001 -1.062 . . . . 0.0 109.966 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.78 112.74 3.35 Favored 'Trans proline' 0 C--N 1.323 -0.786 0 C-N-CA 121.911 1.741 . . . . 0.0 110.522 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -139.31 -168.19 2.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.011 -1.055 . . . . 0.0 108.68 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -120.79 49.79 1.42 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.805 -1.184 . . . . 0.0 109.268 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -144.78 86.16 1.79 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 108.954 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -68.26 168.39 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.059 -1.025 . . . . 0.0 109.832 -179.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.403 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 46.8 t80 -150.08 138.92 20.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.113 -0.992 . . . . 0.0 109.235 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.8 133.49 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.072 -1.018 . . . . 0.0 109.01 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -129.06 40.06 3.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.154 -0.966 . . . . 0.0 109.561 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -141.81 42.56 1.71 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.059 -1.025 . . . . 0.0 109.168 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.28 -178.38 4.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.158 -0.964 . . . . 0.0 109.502 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -77.49 157.82 30.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.026 -1.046 . . . . 0.0 108.989 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.91 35.4 2.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.16 -0.962 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -150.07 35.87 0.67 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.864 -1.148 . . . . 0.0 109.782 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 15.3 mm -95.61 154.21 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.935 -1.103 . . . . 0.0 110.004 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.07 -179.67 7.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -86.16 -39.99 16.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.893 -1.129 . . . . 0.0 109.168 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.34 -27.43 56.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 108.729 178.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.1 tt0 -72.78 -45.03 60.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.853 -1.155 . . . . 0.0 110.168 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.62 -35.43 78.92 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.875 -1.141 . . . . 0.0 110.276 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -22.43 59.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.872 -1.143 . . . . 0.0 110.649 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -80.0 -31.86 39.69 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.506 -1.371 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -77.11 -38.29 52.52 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.712 -1.242 . . . . 0.0 110.21 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.68 -51.91 17.45 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.85 -1.156 . . . . 0.0 109.636 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' OG ' ' A' ' 34' ' ' SER . 2.3 t-80 -53.29 -28.62 28.94 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.122 -0.986 . . . . 0.0 110.764 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.38 -68.46 0.66 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.697 -1.252 . . . . 0.0 110.087 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.76 -59.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.967 -1.083 . . . . 0.0 112.346 -178.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.88 -40.83 98.74 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.751 -1.218 . . . . 0.0 111.229 -178.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 20.3 p -52.34 -33.67 43.83 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.746 -1.221 . . . . 0.0 110.631 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -54.31 -49.85 68.7 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.686 -1.259 . . . . 0.0 109.793 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -55.47 -59.64 4.53 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 109.766 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.72 -148.35 4.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -98.82 144.05 28.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.071 -1.253 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.45 136.04 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.087 -1.008 . . . . 0.0 109.199 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -76.36 -42.14 45.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.951 -1.093 . . . . 0.0 109.367 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -176.46 152.85 1.1 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.169 -0.957 . . . . 0.0 110.497 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mt -122.96 130.44 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 108.955 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.01 108.0 17.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.005 -1.059 . . . . 0.0 109.924 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.31 143.63 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.06 -1.025 . . . . 0.0 108.951 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -125.26 147.2 49.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.875 -1.141 . . . . 0.0 109.82 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -122.82 36.53 4.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 109.888 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.4 p -93.28 176.11 6.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.874 -1.141 . . . . 0.0 109.045 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -66.22 -56.8 9.54 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.924 -1.11 . . . . 0.0 109.567 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.57 -41.04 89.26 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.035 -1.041 . . . . 0.0 109.369 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.93 60.46 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.95 137.38 40.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 109.52 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.96 39.57 97.2 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' OE1' ' C5 ' ' B' ' 42' ' ' ' G' . 21.6 mt-30 -133.28 158.19 43.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.022 -1.281 . . . . 0.0 109.308 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.7 141.06 17.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.988 -1.07 . . . . 0.0 110.478 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.451 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 87.0 m-85 -111.12 141.46 44.59 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.068 -1.02 . . . . 0.0 108.945 179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.75 126.09 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.927 -1.108 . . . . 0.0 109.175 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.66 157.61 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.05 -1.031 . . . . 0.0 108.512 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD1' ' CB ' ' A' ' 64' ' ' ALA . 81.5 m-85 -128.09 155.89 43.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.027 -1.046 . . . . 0.0 109.78 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -44.52 -34.64 2.17 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.473 -0.767 . . . . 0.0 111.459 -178.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -151.49 -174.06 4.71 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.766 -1.209 . . . . 0.0 110.22 -179.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -85.07 87.03 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.242 -0.911 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -49.45 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.098 -1.001 . . . . 0.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -63.21 -37.43 87.2 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.976 -1.077 . . . . 0.0 109.31 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' CD1' ' A' ' 58' ' ' PHE . . . -71.6 -37.23 70.99 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.809 -1.182 . . . . 0.0 108.4 178.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -55.66 -37.98 68.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -0.955 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -73.79 -36.06 64.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.966 -1.084 . . . . 0.0 109.523 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.95 -8.41 56.42 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.799 -1.188 . . . . 0.0 111.108 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.29 -37.15 9.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.351 -1.468 . . . . 0.0 110.658 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -83.35 -31.75 26.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.753 -1.217 . . . . 0.0 110.93 -179.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.49 24.77 6.27 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.744 -1.222 . . . . 0.0 111.356 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -147.05 40.59 1.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.546 -1.346 . . . . 0.0 109.661 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.62 102.41 12.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.982 -1.074 . . . . 0.0 109.139 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.26 56.57 2.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.65 163.57 18.25 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.169 -1.195 . . . . 0.0 109.591 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 124.68 6.35 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 122.058 1.839 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.55 107.49 4.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 109.179 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.471 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 95.0 m-85 59.08 44.29 16.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 0.0 109.693 -179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.61 65.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -179.95 142.41 0.35 Allowed Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.919 -1.113 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.72 125.08 6.56 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 121.63 1.553 . . . . 0.0 109.837 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.48 135.43 51.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.963 -1.086 . . . . 0.0 110.138 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -103.86 150.66 23.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.129 -0.982 . . . . 0.0 109.064 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.2 mt -111.16 138.48 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 0.0 110.273 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -149.43 136.59 19.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -0.924 . . . . 0.0 108.855 179.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -48.73 166.43 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.88 -1.137 . . . . 0.0 110.185 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.2 176.3 7.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.003 -1.06 . . . . 0.0 109.52 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -80.23 -49.02 12.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.123 -0.985 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.8 p -106.91 179.72 4.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.125 -0.984 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.434 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 11.3 m-20 -89.24 179.53 6.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.053 -1.03 . . . . 0.0 109.234 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -86.43 156.44 20.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.014 -1.054 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -75.99 -29.69 58.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.01 -1.056 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 93' ' ' ILE . 2.0 pp -60.3 -24.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.729 -1.232 . . . . 0.0 109.189 178.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -71.94 -39.35 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.477 -1.389 . . . . 0.0 107.805 177.696 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.96 63.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.174 -0.954 . . . . 0.0 110.131 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -84.87 -21.45 29.76 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.626 -1.296 . . . . 0.0 112.182 -179.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 39.3 mmt -64.38 -34.82 79.04 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.848 -1.157 . . . . 0.0 109.822 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.51 -36.49 10.37 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.991 -1.068 . . . . 0.0 109.28 179.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.0 77.03 0.02 OUTLIER Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 178.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.0 t 38.66 44.98 0.85 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.754 -0.85 . . . . 0.0 111.379 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 45.2 91.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.182 -0.948 . . . . 0.0 111.096 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.499 2.007 0 O-C-N 120.959 -1.088 . . . . 0.0 110.24 -179.745 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 O4'-C1'-N19 110.967 2.767 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 111.025 2.825 . 0.386 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 110.973 2.773 . 0.128 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.445 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.013 0 O4'-C1'-N19 110.909 2.709 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.462 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 O4'-C1'-N19 111.244 3.044 . 0.044 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.462 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.534 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C3'-C2'-C1' 104.289 3.099 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.534 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.161 2.961 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 O4'-C1'-N19 110.984 2.784 . 0.328 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.274 0 O4'-C1'-N19 111.533 3.333 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.049 2.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C3'-C2'-C1' 104.193 2.993 . 0.3 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.044 0 C5'-C4'-C3' 111.663 -2.558 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 110.926 2.726 . 0.899 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.104 2.904 . 0.606 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.405 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 111.063 2.863 . 0.074 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.405 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.993 0 O4'-C1'-N19 111.107 2.907 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.16 2.96 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.814 0 O4'-C1'-N19 110.996 2.796 . 0.462 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.52 " O2'" ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.185 2.985 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 C5'-C4'-C3' 111.495 -2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.52 ' N2 ' " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 110.865 2.665 . 0.015 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.735 0 O4'-C1'-N19 110.903 2.703 . 0.076 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.874 2.674 . 0.04 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.443 ' N4 ' ' O ' ' A' ' 89' ' ' ASP . . . . . . . . 0 O4'--C1' 1.439 2.058 0 O4'-C1'-N19 111.533 3.333 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.089 0 O4'-C1'-N19 111.481 3.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.594 3.394 . 0.118 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.429 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.07 0 O4'-C1'-N19 111.053 2.853 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 O4'-C1'-N19 111.367 3.167 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 110.916 2.716 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.14 77.34 10.89 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.001 -1.062 . . . . 0.0 109.805 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.12 -51.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 121.774 1.649 . . . . 0.0 110.374 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -89.7 124.72 34.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.975 . . . . 0.0 109.509 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.78 76.13 1.38 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.028 -1.045 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -60.54 142.42 91.14 Favored Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 120.993 -1.067 . . . . 0.0 108.851 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.88 110.71 2.84 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.573 1.515 . . . . 0.0 110.443 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -103.72 -175.22 2.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.063 -1.023 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.9 t60 -102.4 36.26 2.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.032 -1.042 . . . . 0.0 109.869 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 60.4 m -167.29 109.03 0.64 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.853 -1.154 . . . . 0.0 109.981 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -77.0 164.67 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.911 -1.118 . . . . 0.0 109.527 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -139.98 148.13 41.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.967 . . . . 0.0 109.111 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -128.55 143.7 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.377 179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -139.01 -176.94 4.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.037 -1.039 . . . . 0.0 109.415 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.94 45.09 15.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.867 -1.145 . . . . 0.0 109.254 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.29 -176.14 4.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.053 -1.029 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -84.11 152.76 24.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.005 -1.059 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.55 49.3 0.98 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 0.0 109.712 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -152.14 37.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.007 -1.058 . . . . 0.0 109.935 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 13.2 mm -91.68 155.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -100.98 27.58 5.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.917 . . . . 0.0 111.333 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 69.1 -82.56 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.467 -0.77 . . . . 0.0 112.032 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.52 -27.06 62.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.358 -1.464 . . . . 0.0 108.806 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.97 -43.5 92.44 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.003 -1.061 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.48 -18.5 65.09 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.869 -1.144 . . . . 0.0 111.315 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -81.69 -35.75 29.49 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.46 -1.4 . . . . 0.0 109.872 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -71.13 -36.42 72.11 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.815 -1.178 . . . . 0.0 109.865 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -74.65 -38.68 62.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.863 -1.148 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.37 -31.01 71.9 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.929 -1.107 . . . . 0.0 110.542 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -70.04 -26.47 64.05 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.749 -1.22 . . . . 0.0 111.149 -179.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -47.22 10.72 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.55 -1.344 . . . . 0.0 110.48 -179.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -60.81 -49.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 120.904 -1.122 . . . . 0.0 110.664 -179.016 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -91.24 23.7 3.22 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.036 -1.04 . . . . 0.0 112.665 -178.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -102.64 -44.99 5.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.34 -1.475 . . . . 0.0 110.225 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -47.05 -32.56 4.12 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.842 -1.161 . . . . 0.0 110.926 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -56.46 -64.18 0.95 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.76 -1.212 . . . . 0.0 109.923 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.54 61.36 0.15 Allowed Glycine 0 N--CA 1.5 2.924 0 C-N-CA 119.466 -1.349 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 61.44 148.83 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.388 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.0 143.45 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.007 -1.058 . . . . 0.0 108.995 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.0 -63.05 1.38 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.78 155.69 42.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.839 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.4 mt -141.94 113.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.406 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.71 167.99 12.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.115 -0.991 . . . . 0.0 109.3 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.65 -178.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.966 -1.084 . . . . 0.0 109.101 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -54.17 175.67 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.898 -1.126 . . . . 0.0 109.533 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.0 OUTLIER 179.29 48.21 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.989 -1.069 . . . . 0.0 110.667 -179.352 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 3.5 p 157.54 175.53 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.836 0 O-C-N 121.445 -0.785 . . . . 0.0 109.336 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.21 -52.16 50.64 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.899 -1.126 . . . . 0.0 109.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -49.12 -36.75 19.74 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.045 -1.034 . . . . 0.0 110.633 -179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mmm -102.41 62.49 0.86 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.898 -1.126 . . . . 0.0 109.655 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 57.79 0.83 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 109.38 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.03 59.69 0.02 OUTLIER Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -175.02 155.3 1.97 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.044 -1.268 . . . . 0.0 110.157 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.4 7.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.037 -1.039 . . . . 0.0 109.872 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -135.53 127.74 30.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.0 109.132 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -122.92 137.21 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.6 126.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.111 -0.993 . . . . 0.0 108.695 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -96.65 159.91 14.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.944 -1.097 . . . . 0.0 109.517 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.98 -40.17 76.03 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.044 -1.035 . . . . 0.0 109.234 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.77 172.12 7.74 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.1 -1.0 . . . . 0.0 109.365 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.3 -35.94 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.109 -0.995 . . . . 0.0 109.855 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.8 p -58.72 -36.61 74.56 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.905 -1.122 . . . . 0.0 110.132 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -37.15 83.06 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.812 -1.18 . . . . 0.0 110.211 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.69 64.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.866 -1.146 . . . . 0.0 109.336 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 m -65.66 -41.08 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.94 -1.1 . . . . 0.0 109.43 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.46 -42.18 92.6 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 108.821 179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.5 -36.32 66.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.062 -1.024 . . . . 0.0 109.756 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.61 -38.24 77.17 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.918 -1.114 . . . . 0.0 109.774 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -92.36 13.23 20.04 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.928 -1.108 . . . . 0.0 111.367 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.64 -51.24 3.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.408 -1.432 . . . . 0.0 109.308 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mtp -110.12 39.99 2.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.045 . . . . 0.0 109.402 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 112.75 1.59 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.27 65.44 3.37 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -127.5 160.1 62.19 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.084 -1.245 . . . . 0.0 109.675 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.19 133.83 12.45 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.865 1.71 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 18.5 t80 -125.1 -60.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 108.996 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 3.0 m-85 -115.76 64.37 0.69 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.02 -1.05 . . . . 0.0 109.094 179.475 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 61.97 44.76 7.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.926 -1.109 . . . . 0.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.34 146.11 0.53 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.082 -1.011 . . . . 0.0 110.021 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.87 148.08 27.9 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.611 1.541 . . . . 0.0 110.093 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -151.27 138.18 19.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 110.421 -179.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 150.89 20.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 108.684 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.3 mt -110.18 136.61 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.531 -179.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -133.03 140.36 47.69 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -51.42 172.92 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.873 -1.142 . . . . 0.0 109.696 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.71 172.12 9.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.001 -1.062 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.92 -43.18 9.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.989 -1.069 . . . . 0.0 109.167 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -109.86 179.37 4.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 1.8 m-20 -94.96 167.34 11.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.027 -1.046 . . . . 0.0 109.196 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -94.22 165.95 12.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -98.55 -13.49 20.41 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.04 -1.038 . . . . 0.0 111.412 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.5 pt -57.02 -24.31 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.346 -1.471 . . . . 0.0 109.647 178.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 mm -75.88 -42.5 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.571 -1.331 . . . . 0.0 107.6 178.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.14 -37.82 16.42 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.25 -0.906 . . . . 0.0 110.288 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -62.58 -49.11 76.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.869 -1.144 . . . . 0.0 109.542 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -59.26 175.95 0.27 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.646 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 96' ' ' MET . 3.6 ttpt 92.9 -49.77 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -176.32 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 166.45 61.55 0.03 OUTLIER Glycine 0 N--CA 1.485 1.921 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 177.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 t 38.85 57.94 1.81 Allowed 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.749 -0.853 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 46.43 -169.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.105 -0.997 . . . . 0.0 110.85 179.149 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.025 -1.047 . . . . 0.0 109.094 -179.857 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 O4'-C1'-N19 110.878 2.678 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.869 0 O4'-C1'-N19 110.963 2.763 . 0.337 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.419 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 111.008 2.808 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.509 ' N3 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 O4'-C1'-N19 110.914 2.714 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.487 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.212 3.012 . 0.074 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.54 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.378 3.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C3'-C2'-C1' 104.494 3.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.41 " O2'" " O4'" ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.459 3.259 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.41 " O4'" " O2'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 110.953 2.753 . 0.343 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.541 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.35 0 O4'-C1'-N19 111.454 3.254 . 0.178 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.541 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.111 2.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C3'-C2'-C1' 104.185 2.983 . 0.424 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C5'-C4'-C3' 111.66 -2.56 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 110.961 2.761 . 0.889 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 111.101 2.901 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.025 2.825 . 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.039 2.839 . 0.233 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.187 2.987 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.738 0 O4'-C1'-N19 111.121 2.921 . 0.499 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.428 " O2'" ' OP1' ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 O4'-C1'-N19 111.053 2.853 . 0.055 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.428 ' OP1' " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.11 0 C5'-C4'-C3' 111.453 -2.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 110.85 2.65 . 0.484 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.404 ' C2 ' ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.944 0 C5'-C4'-C3' 111.608 -2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.416 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.902 0 O4'-C1'-N19 111.115 2.915 . 0.068 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.416 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C5'-C4'-C3' 111.626 -2.583 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . 0.54 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.15 2.95 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.392 3.192 . 0.086 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.509 ' N2 ' ' N3 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 O4'-C1'-N19 111.022 2.822 . 0.114 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.345 3.145 . 0.235 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 110.828 2.628 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.87 62.88 12.79 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.365 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.09 -42.57 0.29 Allowed 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 121.85 1.7 . . . . 0.0 110.512 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.02 179.91 0.08 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.214 -0.929 . . . . 0.0 109.265 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.08 98.66 3.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.97 -1.081 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -97.54 148.08 33.92 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.071 -1.018 . . . . 0.0 109.071 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.5 142.01 18.16 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 121.591 1.527 . . . . 0.0 110.491 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -142.64 178.35 7.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.084 -1.01 . . . . 0.0 109.301 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.9 OUTLIER -101.57 32.11 3.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.071 . . . . 0.0 110.252 179.875 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 90.4 m -168.36 127.96 1.22 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.942 -1.099 . . . . 0.0 109.876 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 1.2 pp -90.18 171.65 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.927 -1.108 . . . . 0.0 108.99 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.411 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 21.5 t80 -147.98 121.47 9.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.995 -1.065 . . . . 0.0 109.652 -178.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -109.8 141.76 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.983 -1.073 . . . . 0.0 109.365 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -138.08 -174.01 3.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.048 -1.032 . . . . 0.0 109.654 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 60.4 43.58 13.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.025 -1.047 . . . . 0.0 109.403 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.52 -179.64 5.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -75.94 153.15 36.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.044 -1.035 . . . . 0.0 109.523 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -101.6 50.31 0.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.0 109.634 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -153.73 39.67 0.49 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.009 -1.057 . . . . 0.0 109.665 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mt -109.31 159.08 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 108.954 -179.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.9 mmmt -112.22 29.83 7.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.001 -1.079 . . . . 0.0 112.721 -178.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 81.05 -67.02 0.12 Allowed 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 118.915 0.779 . . . . 0.0 112.171 178.21 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -56.86 -27.79 60.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.561 -1.337 . . . . 0.0 109.184 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.6 tt0 -65.97 -46.69 77.19 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.127 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.91 -14.73 63.2 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.961 -1.087 . . . . 0.0 111.362 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -89.02 -26.77 21.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.298 -1.501 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -80.39 -31.62 37.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.57 -1.331 . . . . 0.0 109.528 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -87.83 -38.2 15.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.811 -1.18 . . . . 0.0 110.129 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.43 -51.33 15.23 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.894 -1.129 . . . . 0.0 109.393 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.55 -27.89 41.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 110.53 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.17 -69.42 0.58 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.595 -1.316 . . . . 0.0 110.162 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -47.01 -59.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.869 -1.144 . . . . 0.0 112.179 -178.488 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CE2' ' CD1' ' A' ' 32' ' ' ILE . 83.9 m-85 -60.38 -34.21 73.56 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.721 -1.237 . . . . 0.0 111.398 -178.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 30.1 p -62.65 -32.0 72.96 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.648 -1.283 . . . . 0.0 110.767 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -35.47 18.71 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.63 -1.294 . . . . 0.0 110.624 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD1' ' OD1' ' A' ' 66' ' ' ASN . 82.8 m-85 -93.01 63.83 3.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.833 -1.167 . . . . 0.0 109.994 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.11 -139.51 14.44 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -129.85 149.49 51.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.24 . . . . 0.0 109.553 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mt -101.0 119.71 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.06 -43.17 91.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.032 -1.043 . . . . 0.0 109.122 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.75 161.15 0.97 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.283 -0.886 . . . . 0.0 110.276 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.95 129.35 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.26 117.5 34.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.968 -1.082 . . . . 0.0 109.887 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 t -113.51 160.57 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 108.594 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.82 169.53 20.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.914 -1.116 . . . . 0.0 110.149 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -136.39 39.69 2.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 0.0 109.68 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.4 p -89.29 176.28 7.0 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.984 -1.072 . . . . 0.0 108.728 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.0 -57.43 13.1 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.929 -1.107 . . . . 0.0 109.479 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -59.64 -40.63 88.3 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.077 -1.014 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.81 59.16 1.21 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.969 -1.082 . . . . 0.0 109.309 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 54.79 0.82 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.67 60.25 0.06 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 4.3 pt20 -176.86 153.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.055 -1.262 . . . . 0.0 110.091 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.17 10.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.947 -1.096 . . . . 0.0 110.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 32.1 m-85 -126.85 144.02 51.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.104 -0.998 . . . . 0.0 109.186 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.4 t -122.22 143.57 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.05 -1.031 . . . . 0.0 109.692 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.59 147.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.031 -1.043 . . . . 0.0 108.787 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -126.92 146.09 50.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.005 . . . . 0.0 109.731 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -49.84 -39.23 38.28 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.046 -1.034 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -129.32 167.43 17.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.098 -1.002 . . . . 0.0 109.266 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.8 -38.5 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.085 -1.009 . . . . 0.0 109.624 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -61.04 -35.99 78.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.005 -1.059 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -56.8 -36.51 69.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.756 -1.215 . . . . 0.0 110.397 -179.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.92 62.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.142 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -60.16 -38.91 84.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.01 -1.056 . . . . 0.0 109.854 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' OD1' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -73.29 -38.49 65.86 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 109.446 179.83 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.11 -13.27 62.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.903 -1.123 . . . . 0.0 111.398 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -40.37 9.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.351 -1.468 . . . . 0.0 110.289 -179.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.69 80.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.918 -1.114 . . . . 0.0 109.869 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 m -67.15 -37.52 83.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.997 -1.064 . . . . 0.0 109.788 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -105.5 36.39 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.896 -1.127 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -73.39 108.74 6.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.819 -1.175 . . . . 0.0 108.941 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.42 73.8 0.46 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -121.69 162.98 33.73 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.044 -1.268 . . . . 0.0 109.906 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.39 115.5 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.121 1.88 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 130.4 25.31 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.017 -1.052 . . . . 0.0 108.483 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.422 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 10.5 m-85 59.77 38.68 21.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.94 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 54.57 64.59 1.76 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.899 -1.126 . . . . 0.0 110.368 179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tttt 179.12 143.72 0.33 Allowed Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 120.776 -1.202 . . . . 0.0 110.079 179.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.61 117.95 4.42 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.502 1.468 . . . . 0.0 109.787 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -126.46 127.14 44.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.989 -1.07 . . . . 0.0 110.232 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -96.59 149.44 21.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.118 -0.989 . . . . 0.0 108.693 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -107.41 137.49 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.079 -1.013 . . . . 0.0 110.268 -179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.47 141.14 37.4 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.55 177.71 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.803 -1.186 . . . . 0.0 109.867 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.13 -179.64 4.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.971 -1.081 . . . . 0.0 109.54 -179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' CG ' ' C2 ' ' B' ' 43' ' ' ' C' . 0.2 OUTLIER -82.54 -52.46 6.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.118 -0.989 . . . . 0.0 108.754 179.836 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -117.81 179.8 3.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.119 -0.988 . . . . 0.0 109.22 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 177.38 8.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.04 -1.038 . . . . 0.0 109.097 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 165.51 22.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.948 -1.095 . . . . 0.0 109.179 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -34.37 34.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 -179.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -63.51 -37.18 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.809 -1.182 . . . . 0.0 109.882 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.14 -32.36 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.817 -1.177 . . . . 0.0 108.446 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.84 -54.67 14.28 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.847 -1.158 . . . . 0.0 110.817 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -98.13 1.72 47.81 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 120.059 -0.657 . . . . 0.0 112.095 -177.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 40.0 mmm -73.67 -23.15 59.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 108.744 178.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -48.91 -35.46 14.95 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 175.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.15 -80.85 0.85 Allowed Glycine 0 N--CA 1.478 1.486 0 N-CA-C 108.03 -2.028 . . . . 0.0 108.03 176.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -154.46 93.28 1.58 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.013 -1.286 . . . . 0.0 110.788 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -66.55 108.95 2.6 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.782 -1.199 . . . . 0.0 108.605 178.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.0 109.063 -179.921 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 110.865 2.665 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 110.998 2.798 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.461 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 O4'-C1'-N19 110.91 2.71 . 0.282 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.461 " C5'" " O2'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 110.935 2.735 . 0.066 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.443 ' C6 ' ' C5 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 111.317 3.117 . 0.088 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.515 ' N6 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 C3'-C2'-C1' 104.575 3.417 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.533 " O2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C3'-C2'-C1' 104.55 3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.533 ' C6 ' " O2'" ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 O4'-C1'-N19 110.979 2.779 . 0.088 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.529 ' C5 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 O4'-C1'-N19 111.165 2.965 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C5'-C4'-C3' 111.655 -2.563 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.137 2.937 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C3'-C2'-C1' 104.217 3.019 . 0.329 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.043 0 C5'-C4'-C3' 111.638 -2.575 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.476 ' N2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 O4'-C1'-N19 110.87 2.67 . 0.718 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.476 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.11 0 O4'-C1'-N19 111.183 2.983 . 0.654 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.529 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.144 2.944 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.529 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 O4'-C1'-N19 111.129 2.929 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.169 0 O4'-C1'-N19 111.109 2.909 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.943 0 O4'-C1'-N19 110.917 2.717 . 0.572 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.454 " O2'" ' CD2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.43 -1.955 0 O4'-C1'-N19 111.13 2.93 . 0.337 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.025 0 C5'-C4'-C3' 111.555 -2.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 110.86 2.66 . 0.258 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.433 " O2'" ' OP2' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.879 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.544 ' C8 ' ' CZ ' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.612 1.902 0 O4'-C1'-N19 111.051 2.851 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.542 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 110.872 2.672 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.036 0 O4'-C1'-N19 111.407 3.207 . 0.479 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.216 3.016 . 0.063 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.071 2.871 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.072 2.872 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 110.817 2.617 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t 58.56 83.1 0.22 Allowed Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 120.968 -1.083 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.21 122.49 5.71 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.849 1.699 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.59 -38.56 66.88 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.996 -1.065 . . . . 0.0 109.941 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -144.16 -67.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.855 -1.153 . . . . 0.0 109.624 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 87.82 0.13 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.085 -1.01 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -77.4 133.94 13.6 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.731 1.621 . . . . 0.0 110.144 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.88 40.4 3.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.077 -1.015 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.7 t60 58.97 23.09 11.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 111.148 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 55.1 m -169.41 143.14 2.79 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.51 -1.369 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 4.4 pt -108.93 164.56 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.915 -1.116 . . . . 0.0 108.915 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' OH ' ' OE1' ' A' ' 53' ' ' GLN . 46.9 t80 -138.28 129.7 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.23 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.76 138.5 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.023 -1.048 . . . . 0.0 109.281 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.11 -172.44 2.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 109.444 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 61.99 43.79 8.75 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.909 -1.119 . . . . 0.0 109.552 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.72 -179.33 4.97 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.007 -1.058 . . . . 0.0 109.324 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -89.36 149.12 23.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 109.029 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.0 44.04 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.0 109.802 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -141.71 30.27 1.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.997 -1.064 . . . . 0.0 110.161 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.09 155.14 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.861 -1.149 . . . . 0.0 108.885 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.88 -171.8 3.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.209 -0.932 . . . . 0.0 109.658 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -37.07 27.89 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.139 -0.976 . . . . 0.0 109.817 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.11 -29.3 69.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.093 -1.004 . . . . 0.0 108.78 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.56 -54.81 7.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 109.414 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' CD2' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -55.4 -25.05 33.48 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.114 . . . . 0.0 111.352 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -82.39 -34.65 28.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.444 -1.41 . . . . 0.0 110.256 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -72.03 -22.72 61.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.722 -1.236 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -43.56 10.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.54 -1.35 . . . . 0.0 110.283 -179.57 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.55 -57.18 4.35 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.024 -1.048 . . . . 0.0 109.648 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -50.51 -29.28 10.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.204 -0.935 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.73 -69.7 0.53 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.689 -1.257 . . . . 0.0 110.207 -179.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.63 -60.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 112.255 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 55.6 m-85 -60.55 -37.56 81.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.685 -1.26 . . . . 0.0 110.732 -178.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -54.39 -35.62 63.05 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.67 -1.269 . . . . 0.0 110.478 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -49.61 -47.73 49.47 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.783 -1.198 . . . . 0.0 110.253 -179.523 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -61.63 -56.69 17.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.989 -1.069 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.55 -164.04 11.88 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.84 150.48 25.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.24 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.4 mt -110.91 116.96 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.8 -45.21 86.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.991 -1.068 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -179.16 151.24 0.49 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.021 -1.05 . . . . 0.0 110.502 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.5 139.1 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.996 -1.065 . . . . 0.0 109.195 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -110.4 133.79 52.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.082 -1.011 . . . . 0.0 109.999 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.97 122.16 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.136 -0.977 . . . . 0.0 108.913 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' ' N6 ' ' B' ' 24' ' ' ' A' . 67.1 m -106.68 168.24 9.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.029 -1.044 . . . . 0.0 109.796 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 38.19 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.025 -1.047 . . . . 0.0 109.824 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.9 p -92.59 -173.36 3.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.014 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD2' " O2'" ' B' ' 40' ' ' ' U' . 1.7 tt -74.59 -51.27 15.02 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.966 -1.083 . . . . 0.0 109.545 -179.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -58.8 -40.81 85.14 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.049 -1.032 . . . . 0.0 109.352 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 ttm -101.37 51.5 0.84 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.988 -1.07 . . . . 0.0 109.413 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.44 50.55 0.94 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.99 -1.069 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.08 57.69 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' OH ' ' A' ' 12' ' ' TYR . 3.1 pt20 -178.29 152.92 0.72 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.123 -1.222 . . . . 0.0 110.105 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.33 150.91 33.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.938 -1.101 . . . . 0.0 109.959 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CZ ' ' C8 ' ' B' ' 44' ' ' ' A' . 67.6 m-85 -104.11 148.2 26.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.013 -1.055 . . . . 0.0 109.164 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.78 125.1 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.904 -1.123 . . . . 0.0 109.15 179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' CD1' ' OG ' ' A' ' 90' ' ' SER . 42.0 mt -98.14 119.94 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.034 -1.041 . . . . 0.0 109.123 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.44 146.82 24.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.99 -1.069 . . . . 0.0 108.824 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -51.02 -38.8 53.59 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.949 -1.094 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -129.13 169.13 15.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.057 -1.027 . . . . 0.0 109.169 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.62 -33.99 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.105 -0.997 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -59.09 -36.21 74.73 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.865 -1.147 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.23 -36.46 80.02 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.843 -1.161 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.74 59.94 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.752 -1.218 . . . . 0.0 109.804 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 3.2 m -66.99 -40.52 87.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.799 -1.188 . . . . 0.0 109.493 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.1 t-20 -72.04 -37.0 69.8 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.011 -1.055 . . . . 0.0 109.76 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.28 64.99 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.895 -1.128 . . . . 0.0 110.623 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -81.89 -56.62 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.534 -1.354 . . . . 0.0 110.206 -179.31 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -65.21 -17.67 64.67 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.07 -1.019 . . . . 0.0 111.469 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 66' ' ' ASN . 16.7 p -90.02 -38.28 13.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.491 -1.381 . . . . 0.0 110.05 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtp -104.88 37.34 2.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.873 -1.142 . . . . 0.0 109.745 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.62 96.3 0.93 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.946 -1.096 . . . . 0.0 109.0 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.47 75.49 0.78 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.92 165.75 16.96 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.025 -1.279 . . . . 0.0 109.751 -179.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.01 114.3 3.36 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 122.063 1.842 . . . . 0.0 110.539 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -145.93 131.17 18.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.013 -1.054 . . . . 0.0 109.076 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.448 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 7.9 m-85 60.6 39.02 18.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 0.0 109.88 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.01 62.25 2.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.944 -1.098 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 176.43 150.01 0.32 Allowed Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 120.788 -1.195 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.6 123.39 6.42 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.551 1.5 . . . . 0.0 109.827 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.84 118.1 23.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.4 -179.416 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -91.42 140.86 29.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.005 . . . . 0.0 108.323 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.88 136.55 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.986 -1.072 . . . . 0.0 110.377 -179.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 134.13 47.43 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -50.87 173.34 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.901 -1.124 . . . . 0.0 109.773 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.15 162.35 13.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.974 -1.079 . . . . 0.0 109.95 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.13 -46.6 16.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.083 -1.011 . . . . 0.0 109.225 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.2 p -106.86 179.97 4.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.186 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.446 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.1 m-20 -99.5 179.56 4.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.005 -1.059 . . . . 0.0 109.808 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 t -80.53 147.3 30.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.194 -0.941 . . . . 0.0 109.277 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.93 -23.93 60.75 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.138 -0.976 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 pt -69.12 -40.62 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.564 -1.335 . . . . 0.0 110.003 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.72 1.18 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 O-C-N 120.765 -1.209 . . . . 0.0 109.807 178.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.41 78.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.457 -1.402 . . . . 0.0 109.169 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -69.69 -13.73 62.45 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.87 -1.144 . . . . 0.0 111.51 179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.33 -47.4 73.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.884 -1.135 . . . . 0.0 108.248 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -53.17 -30.89 39.81 Favored 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.85 -39.97 0.32 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 178.1 -43.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.984 -1.303 . . . . 0.0 110.528 178.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -142.85 135.77 28.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.823 -1.173 . . . . 0.0 109.499 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.489 1.521 0 O-C-N 120.956 -1.09 . . . . 0.0 109.134 -179.934 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.011 2.811 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.433 ' C6 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.971 0 O4'-C1'-N19 111.064 2.864 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.433 ' C4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 110.779 2.579 . 0.159 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 110.907 2.707 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.447 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.435 1.749 0 O4'-C1'-N19 110.912 2.712 OUTLIER-EPSILON 0.477 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.447 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 C3'-C2'-C1' 103.911 2.679 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.492 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 C3'-C2'-C1' 104.419 3.243 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.492 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.051 0 O4'-C1'-N19 111.576 3.376 . 0.092 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.026 2.826 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.184 0 O4'-C1'-N19 111.578 3.378 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 111.021 2.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C3'-C2'-C1' 104.174 2.971 . 0.344 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.435 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 C5'-C4'-C3' 111.581 -2.613 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 O4'-C1'-N19 110.882 2.682 . 0.913 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.951 2.751 . 0.576 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 O4'-C1'-N19 111.159 2.959 . 0.156 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.009 0 O4'-C1'-N19 111.166 2.966 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.106 2.906 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.468 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.901 0 O4'-C1'-N19 111.003 2.803 . 0.352 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.468 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 O4'-C1'-N19 111.232 3.032 . 0.425 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.784 0 O4'-C1'-N19 110.956 2.756 . 0.251 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.44 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.01 0 O4'-C1'-N19 111.083 2.883 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.746 0 O4'-C1'-N19 110.909 2.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.545 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.816 0 O4'-C1'-N19 110.903 2.703 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.545 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-C3' 111.621 -2.586 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 111.473 3.273 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.225 3.025 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.17 0 O4'-C1'-N19 110.995 2.795 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.618 -2.588 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.6 t 58.39 79.32 0.32 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.053 -1.029 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.22 95.59 1.07 Allowed 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.886 1.724 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.42 41.9 1.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.093 -1.004 . . . . 0.0 110.208 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.49 -52.57 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.905 -1.122 . . . . 0.0 110.351 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.6 mtt-85 64.46 150.18 0.11 Allowed Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.062 -1.024 . . . . 0.0 109.057 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.94 92.4 1.13 Allowed 'Trans proline' 0 C--N 1.321 -0.874 0 C-N-CA 121.669 1.579 . . . . 0.0 110.526 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -91.45 -178.35 5.08 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.34 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.449 ' O ' ' OG1' ' A' ' 10' ' ' THR . 1.4 t-80 -112.44 38.63 2.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 110.255 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 34.8 m -167.23 105.75 0.56 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.878 -1.139 . . . . 0.0 110.287 179.248 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -67.4 168.87 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.01 -1.056 . . . . 0.0 108.821 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 52.4 t80 -157.44 142.14 16.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.777 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -130.66 134.99 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.165 -0.959 . . . . 0.0 108.711 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -126.4 41.83 3.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.961 -1.087 . . . . 0.0 109.669 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -144.86 43.29 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.099 -1.0 . . . . 0.0 109.329 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -92.82 178.83 5.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.39 156.38 29.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.102 -0.999 . . . . 0.0 109.117 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.78 38.83 1.46 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 109.96 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.58 36.42 0.57 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.866 -1.146 . . . . 0.0 110.06 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 9.1 mm -96.15 151.68 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.917 -1.115 . . . . 0.0 109.644 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 177.55 8.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' NZ ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.2 tptt -79.15 -40.74 30.16 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.913 -1.117 . . . . 0.0 109.102 179.566 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.44 -14.32 60.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.175 -0.953 . . . . 0.0 109.429 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 29.7 mt-10 -83.08 -41.98 17.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.609 -1.307 . . . . 0.0 110.027 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.15 -35.64 74.18 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.141 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -77.29 -30.1 54.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.857 -1.152 . . . . 0.0 110.509 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.4 -24.62 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.691 -1.256 . . . . 0.0 110.628 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 23.2 t -87.62 -36.35 17.54 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.515 -1.365 . . . . 0.0 110.471 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.2 -43.51 64.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.822 -1.174 . . . . 0.0 109.432 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . 2.8 t-80 -66.03 -25.81 67.23 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.137 -0.977 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -77.7 -68.33 0.64 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.598 -1.314 . . . . 0.0 110.042 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -56.26 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 111.225 -178.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.19 -43.42 87.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.816 -1.177 . . . . 0.0 110.812 -178.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 29.7 p -53.91 -35.89 62.13 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.869 -1.145 . . . . 0.0 110.586 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -54.75 -47.42 73.87 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.704 -1.248 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CE1' ' CB ' ' A' ' 70' ' ' SER . 92.4 m-85 -58.88 -58.52 8.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.074 -1.016 . . . . 0.0 109.553 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.95 -157.43 7.71 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -92.95 133.89 35.66 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.106 -1.232 . . . . 0.0 109.336 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.7 mt -94.52 138.35 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.037 -1.039 . . . . 0.0 109.412 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tp -87.77 -41.91 12.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.143 -0.973 . . . . 0.0 109.364 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -170.83 147.64 2.77 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.128 -0.982 . . . . 0.0 110.382 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.02 131.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.114 -0.991 . . . . 0.0 109.223 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 mp -105.86 131.62 52.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.919 -1.113 . . . . 0.0 109.877 -179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.0 123.88 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.165 -0.96 . . . . 0.0 109.279 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 t -125.71 160.51 29.56 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.781 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -127.83 36.06 4.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -87.14 174.82 8.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.848 -1.157 . . . . 0.0 109.093 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.58 -40.12 84.83 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.996 -1.065 . . . . 0.0 109.741 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.15 -39.4 71.97 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.033 -1.042 . . . . 0.0 109.797 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.8 mmm -112.1 61.89 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.422 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -110.14 144.95 38.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.936 -1.103 . . . . 0.0 109.479 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.41 38.34 95.58 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 3.5 pt20 -156.91 151.09 25.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.003 -1.292 . . . . 0.0 109.799 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.27 152.01 38.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 34.4 m-85 -111.52 143.04 43.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.12 -0.987 . . . . 0.0 109.191 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.0 127.84 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.895 -1.128 . . . . 0.0 108.867 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.6 mt -114.99 157.61 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.145 -0.972 . . . . 0.0 108.764 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -130.9 149.67 52.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.005 -1.06 . . . . 0.0 109.219 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -49.45 -61.79 1.9 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 120.948 -1.095 . . . . 0.0 108.756 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.41 158.74 15.3 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 177.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 p -90.27 19.69 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.782 -1.199 . . . . 0.0 112.539 -178.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.38 -38.36 11.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.478 -1.389 . . . . 0.0 109.261 178.764 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -62.55 -32.94 73.98 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.902 -1.123 . . . . 0.0 110.176 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.79 72.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.763 -1.211 . . . . 0.0 108.654 179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.4 m -64.91 -39.87 94.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.019 . . . . 0.0 109.713 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -67.83 -34.3 76.47 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.965 -1.084 . . . . 0.0 110.127 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.775 -1.203 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -53.82 8.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.694 -1.254 . . . . 0.0 110.175 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -5.18 48.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.978 -1.076 . . . . 0.0 111.868 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.413 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 44.1 m -94.43 -39.98 10.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.289 -1.507 . . . . 0.0 109.852 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmm -109.48 38.8 2.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.957 -1.089 . . . . 0.0 109.757 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.77 103.18 0.19 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.159 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.35 64.6 2.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.6 161.03 41.7 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.067 -1.255 . . . . 0.0 109.596 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.12 135.84 14.08 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.825 1.683 . . . . 0.0 110.791 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 6.7 t80 -122.51 -59.4 1.63 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 108.648 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 6.6 m-85 -125.38 67.94 1.14 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.086 -1.009 . . . . 0.0 108.834 179.071 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.74 42.4 8.13 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 109.564 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 150.4 1.39 Allowed Pre-proline 0 N--CA 1.499 2.022 0 O-C-N 121.016 -1.052 . . . . 0.0 110.067 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.32 147.66 23.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.813 1.675 . . . . 0.0 110.341 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.39 138.0 20.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.014 -1.053 . . . . 0.0 109.966 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 148.84 23.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.047 -1.033 . . . . 0.0 109.168 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -110.26 138.58 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.118 -0.989 . . . . 0.0 110.113 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -143.42 139.11 29.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -0.954 . . . . 0.0 108.747 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -50.94 175.3 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.917 -1.114 . . . . 0.0 109.843 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.01 162.29 13.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.016 -1.053 . . . . 0.0 109.389 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -63.27 -50.15 71.28 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.7 p -113.42 179.53 3.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 0.0 109.419 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 4.1 m-20 -86.07 -178.43 6.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.027 -1.046 . . . . 0.0 109.279 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.6 p -95.79 158.37 15.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.094 -1.004 . . . . 0.0 109.783 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.38 19.86 10.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.854 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 pt -101.34 -36.72 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.479 -1.388 . . . . 0.0 110.465 -179.695 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.68 3.07 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 O-C-N 120.555 -1.341 . . . . 0.0 109.145 178.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.01 -33.81 74.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.486 -1.383 . . . . 0.0 108.962 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -69.21 -11.68 61.01 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.842 -1.161 . . . . 0.0 111.714 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 null -94.66 -41.04 9.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.734 -1.229 . . . . 0.0 109.52 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -51.81 -35.88 45.82 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.937 -1.102 . . . . 0.0 108.214 178.124 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.13 57.83 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 t 37.96 65.62 0.56 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.812 -0.817 . . . . 0.0 111.262 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -56.39 -39.51 73.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.987 -1.071 . . . . 0.0 109.502 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.501 2.095 0 O-C-N 121.024 -1.048 . . . . 0.0 110.386 -179.843 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.413 ' C6 ' ' N3 ' ' B' ' 50' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.974 0 O4'-C1'-N19 110.913 2.713 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.074 2.874 . 0.095 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.864 2.664 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 O4'-C1'-N19 110.904 2.704 . 0.145 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.488 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.854 0 O4'-C1'-N19 111.239 3.039 . 0.377 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.488 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C3'-C2'-C1' 104.524 3.359 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.543 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 O4'-C1'-N19 111.483 3.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.543 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.437 ' N3 ' ' N1 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 110.887 2.687 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.433 ' C4 ' ' O4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.232 0 O4'-C1'-N19 111.186 2.986 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.433 ' O4 ' ' C4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.291 0 O4'-C1'-N19 111.627 3.427 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . 0.557 " O2'" ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.203 0 C3'-C2'-C1' 104.249 3.055 . 0.711 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.573 ' C2 ' ' C5 ' ' B' ' 34' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.396 -4.743 0 C5'-C4'-C3' 111.571 -2.619 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.573 ' C5 ' ' C2 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.995 3.795 . 0.151 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.155 0 O4'-C1'-N19 111.233 3.033 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.415 ' N1 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.207 3.007 . 0.441 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.437 ' N1 ' ' N3 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.978 0 O4'-C1'-N19 111.06 2.86 . 0.239 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.13 2.93 . 0.405 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.807 0 O4'-C1'-N19 110.864 2.664 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.234 3.034 . 0.3 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.838 0 O4'-C1'-N19 110.949 2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C5'-C4'-C3' 111.465 -2.69 . 0.078 4g . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.719 0 O4'-C1'-N19 111.011 2.811 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.54 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.052 2.852 . 0.381 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.528 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C5'-C4'-C3' 111.554 -2.63 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.055 0 O4'-C1'-N19 111.542 3.342 . 0.156 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.316 3.116 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.535 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 O4'-C1'-N19 111.1 2.9 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 111.096 2.896 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . 0.413 ' N3 ' ' C6 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 110.88 2.68 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.6 156.3 79.94 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.98 86.54 1.64 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.885 1.723 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.01 176.52 1.22 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.108 -0.995 . . . . 0.0 109.429 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -100.47 151.21 21.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.109 -0.995 . . . . 0.0 109.334 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -97.43 144.22 27.54 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.022 -1.049 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.96 110.7 2.82 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.755 1.636 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -123.15 173.43 7.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.488 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' N ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -83.85 -41.84 17.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.108 -0.995 . . . . 0.0 109.079 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -96.54 148.92 22.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.144 -0.972 . . . . 0.0 109.271 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 4.1 pt -116.26 145.77 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.994 -1.066 . . . . 0.0 109.222 179.347 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -113.0 119.09 36.72 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.409 -0.807 . . . . 0.0 109.262 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -98.8 147.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.048 -1.033 . . . . 0.0 109.046 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -139.35 -179.97 6.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.006 -1.059 . . . . 0.0 109.648 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 59.19 41.47 20.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.983 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -95.41 179.59 5.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.067 -1.021 . . . . 0.0 109.473 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -72.03 151.45 43.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.031 -1.043 . . . . 0.0 109.052 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.01 34.7 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.148 -0.97 . . . . 0.0 110.374 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -148.0 33.27 0.83 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.779 -1.201 . . . . 0.0 110.281 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.429 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 10.9 mm -99.24 154.13 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.846 -1.159 . . . . 0.0 109.91 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -85.47 -177.61 6.49 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -86.62 -40.09 15.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.889 -1.132 . . . . 0.0 109.133 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.12 -29.6 57.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 108.456 178.236 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.5 tt0 -70.21 -46.44 64.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.877 -1.139 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.5 -31.61 71.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.908 -1.12 . . . . 0.0 110.455 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -73.82 -24.43 59.8 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.219 . . . . 0.0 110.597 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -78.73 -36.88 42.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.1 p -69.83 -38.56 76.58 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.881 -1.137 . . . . 0.0 109.972 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.86 -1.15 . . . . 0.0 110.067 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -68.32 -18.48 64.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.865 -1.147 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.71 -51.94 4.86 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.434 -1.416 . . . . 0.0 110.147 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.94 -55.24 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.98 -1.075 . . . . 0.0 110.731 -179.078 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 64.2 m-85 -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.899 -1.126 . . . . 0.0 110.703 -178.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -61.64 -33.51 74.06 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.84 -1.163 . . . . 0.0 110.367 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -49.7 -38.3 32.55 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.639 -1.288 . . . . 0.0 110.262 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -74.92 -52.21 11.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.927 -1.108 . . . . 0.0 109.383 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 -163.88 11.21 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -89.34 146.43 24.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.994 -1.298 . . . . 0.0 109.38 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -108.99 117.15 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.011 -1.056 . . . . 0.0 109.564 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.9 -40.31 92.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.631 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.83 146.04 0.24 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.976 -1.078 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -110.91 125.86 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.034 -1.041 . . . . 0.0 109.473 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.55 131.05 45.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.02 -1.05 . . . . 0.0 109.6 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.77 131.69 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.035 . . . . 0.0 109.327 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -110.06 146.99 34.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.91 -1.119 . . . . 0.0 109.619 -179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.74 38.31 4.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 109.85 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -107.22 163.2 13.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.946 -1.096 . . . . 0.0 109.283 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.83 -41.98 88.19 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.994 -1.066 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.43 -40.77 95.64 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.052 -1.03 . . . . 0.0 109.549 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -109.67 60.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.387 -179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.44 143.4 35.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.23 38.84 88.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' OE1' ' CE2' ' A' ' 55' ' ' PHE . 4.9 pp0? -155.07 164.51 38.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.988 -1.301 . . . . 0.0 109.921 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.11 11.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.953 -1.092 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 74.4 m-85 -138.84 135.9 35.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.051 -1.031 . . . . 0.0 109.096 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -126.62 126.17 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.888 -1.133 . . . . 0.0 109.991 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mt -99.43 118.22 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.077 -1.014 . . . . 0.0 108.942 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.28 143.57 28.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.072 -1.018 . . . . 0.0 109.366 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -55.23 -40.81 71.29 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.993 -1.067 . . . . 0.0 109.407 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.19 150.92 44.65 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.158 -0.964 . . . . 0.0 109.319 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' N ' ' NE2' ' A' ' 9' ' ' HIS . 10.1 p -62.16 -32.27 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.997 -1.064 . . . . 0.0 109.995 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.8 m -62.98 -35.19 79.35 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.784 -1.197 . . . . 0.0 109.913 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -58.73 -33.73 70.56 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.774 -1.204 . . . . 0.0 110.21 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.21 -29.24 48.23 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.709 -1.245 . . . . 0.0 109.747 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 32.5 m -63.86 -39.66 94.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.866 -1.146 . . . . 0.0 109.859 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -39.22 52.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.964 -1.085 . . . . 0.0 109.761 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.77 64.33 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.926 -1.109 . . . . 0.0 110.975 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -37.03 12.23 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.484 -1.385 . . . . 0.0 110.186 -179.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -68.67 -35.63 77.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.831 -1.168 . . . . 0.0 110.205 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 t -85.39 -27.58 25.72 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.9 -1.125 . . . . 0.0 110.852 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mtp -101.81 35.61 2.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.59 -1.319 . . . . 0.0 110.07 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -76.82 92.7 3.63 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.937 -1.102 . . . . 0.0 108.999 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 73.11 1.21 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.33 161.01 39.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.278 . . . . 0.0 109.625 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.24 134.3 12.72 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.977 1.784 . . . . 0.0 110.336 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -147.03 119.22 8.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.3 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 67.0 m-85 71.08 -84.08 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 O-C-N 122.163 -0.336 . . . . 0.0 110.675 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.52 44.37 0.53 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.507 -1.371 . . . . 0.0 110.459 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.64 152.16 0.56 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 120.902 -1.123 . . . . 0.0 110.151 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -76.94 147.17 26.67 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.792 1.661 . . . . 0.0 110.045 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -148.24 129.36 14.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.282 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.24 139.04 31.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.0 108.488 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.61 136.85 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.042 . . . . 0.0 110.255 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 135.67 53.93 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -50.61 157.6 0.74 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.865 -1.147 . . . . 0.0 109.721 -179.433 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 162.46 28.07 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 0.0 109.534 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -77.24 -41.52 40.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.035 -1.04 . . . . 0.0 109.419 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -119.43 177.88 4.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.021 -1.05 . . . . 0.0 109.888 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -88.21 -174.81 4.8 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.139 -0.976 . . . . 0.0 109.471 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.72 154.24 20.09 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.997 -1.065 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -33.12 58.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 109.766 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -56.46 -26.11 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.859 -1.15 . . . . 0.0 109.512 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -45.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.43 -1.419 . . . . 0.0 107.21 177.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.55 -31.16 14.85 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.279 -0.888 . . . . 0.0 110.628 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -70.65 -41.98 71.43 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.674 -1.266 . . . . 0.0 110.635 -179.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.407 -0.808 . . . . 0.0 110.869 -179.481 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -50.76 -38.76 49.74 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.43 -57.04 0.05 OUTLIER Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 177.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 t 173.18 52.99 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.212 -1.17 . . . . 0.0 109.837 178.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.21 99.59 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.855 -1.153 . . . . 0.0 109.389 -179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.047 -1.033 . . . . 0.0 109.111 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 110.961 2.761 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.062 0 O4'-C1'-N19 110.943 2.743 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C5'-C4'-C3' 111.602 -2.599 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.528 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 110.846 2.646 . 0.299 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.069 0 O4'-C1'-N19 111.155 2.955 . 0.115 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.52 ' C2 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.527 " O2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 O4'-C1'-N19 111.283 3.083 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.527 ' C6 ' " O2'" ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.164 2.964 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C3'-C2'-C1' 103.89 2.655 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.41 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 111.013 2.813 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.442 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 110.906 2.706 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C3'-C2'-C1' 104.177 2.975 . 0.284 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.443 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C5'-C4'-C3' 111.701 -2.533 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.443 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 O4'-C1'-N19 110.87 2.67 . 0.907 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.082 0 O4'-C1'-N19 111.14 2.94 . 0.632 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.41 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.13 2.93 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 O4'-C1'-N19 111.175 2.975 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 110.9 2.7 . 0.345 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.821 0 O4'-C1'-N19 111.092 2.892 . 0.376 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 O4'-C1'-N19 110.888 2.688 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . 0.451 " O4'" ' C4 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.923 0 O4'-C1'-N19 110.752 2.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.451 ' C4 ' " O4'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 O4'-C1'-N19 110.838 2.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.432 " O2'" ' OP2' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.866 0 O4'-C1'-N19 111.146 2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.549 ' C5 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.438 1.962 0 O4'-C1'-N19 111.062 2.862 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.535 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 110.854 2.654 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.517 3.317 . 0.54 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.528 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.064 2.864 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.185 0 O4'-C1'-N19 111.29 3.09 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 0 O4'-C1'-N19 110.84 2.64 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 38.7 t -73.17 -45.99 8.06 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.13 -0.982 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.1 Cg_endo -78.46 -170.35 0.96 Allowed 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 121.111 1.208 . . . . 0.0 110.381 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.15 -37.74 18.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.994 -1.066 . . . . 0.0 110.488 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -126.11 38.45 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.871 -1.143 . . . . 0.0 110.184 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 61.63 149.93 0.09 OUTLIER Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.157 -0.964 . . . . 0.0 110.202 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.66 157.33 24.8 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.798 1.666 . . . . 0.0 110.164 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -119.85 -74.04 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t60 172.41 -46.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.287 -0.883 . . . . 0.0 108.677 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.6 m -111.32 158.76 18.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.008 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.8 pt -117.64 159.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -139.18 107.12 5.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.908 . . . . 0.0 109.556 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.19 150.04 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.032 -1.042 . . . . 0.0 108.727 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -140.61 159.32 42.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.96 -1.087 . . . . 0.0 109.509 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 68.78 46.46 0.91 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.906 -1.121 . . . . 0.0 109.112 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.52 -179.52 5.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.195 -0.941 . . . . 0.0 109.266 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -79.73 149.76 31.05 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.123 -0.986 . . . . 0.0 109.271 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -101.14 34.55 2.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.105 -0.997 . . . . 0.0 110.279 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -138.34 29.34 2.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.735 -1.228 . . . . 0.0 109.933 179.298 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.472 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 10.3 mm -99.31 152.42 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.879 -1.138 . . . . 0.0 109.883 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -86.99 -176.94 5.92 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.067 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -86.98 -39.94 15.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.846 -1.159 . . . . 0.0 109.188 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.16 -24.32 57.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 108.938 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 10.1 tt0 -78.17 -45.83 22.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.801 -1.187 . . . . 0.0 110.003 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.21 -28.32 67.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.997 -1.065 . . . . 0.0 110.815 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -80.1 -30.86 39.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.668 -1.27 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -22.94 49.81 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.627 -1.296 . . . . 0.0 110.424 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -86.24 -39.41 16.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.629 -1.294 . . . . 0.0 109.992 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.49 -42.46 71.33 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.945 -1.097 . . . . 0.0 109.545 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' A' ' 34' ' ' SER . 6.2 t-80 -62.54 -28.69 70.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.176 -0.952 . . . . 0.0 110.466 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -78.87 -69.73 0.55 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.622 -1.299 . . . . 0.0 109.783 -179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -46.51 -59.24 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.073 -1.017 . . . . 0.0 112.051 -178.687 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.28 -32.17 72.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.657 -1.277 . . . . 0.0 111.463 -178.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 31' ' ' ALA . 31.8 p -66.37 -27.68 68.05 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.717 -1.239 . . . . 0.0 111.8 -178.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 1.9 ptm180 -49.47 -31.58 10.28 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.493 -1.38 . . . . 0.0 110.992 -179.079 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.26 -55.56 6.26 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.711 -1.243 . . . . 0.0 109.375 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.84 -141.45 3.23 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -98.5 142.78 29.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.96 -1.318 . . . . 0.0 109.378 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.76 117.12 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.051 -1.031 . . . . 0.0 109.533 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.96 -66.9 0.3 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.96 -1.087 . . . . 0.0 109.674 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -159.51 141.95 13.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.148 -0.97 . . . . 0.0 110.068 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.9 mt -113.18 142.62 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.028 -1.045 . . . . 0.0 109.456 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.32 138.24 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.03 -1.044 . . . . 0.0 109.682 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.64 121.7 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.266 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.52 ' OG ' ' C2 ' ' B' ' 24' ' ' ' A' . 5.8 m -136.2 142.28 44.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.011 -1.055 . . . . 0.0 109.203 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 47' ' ' SER . 25.4 mtt180 -87.35 -76.22 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 6.3 p 48.75 -177.48 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.884 -1.135 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.39 -40.28 18.02 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.409 -1.432 . . . . 0.0 109.963 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -74.75 -37.89 62.38 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.999 -1.063 . . . . 0.0 110.255 -179.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mtp -95.92 52.3 1.31 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.917 -1.114 . . . . 0.0 109.752 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 49.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.958 -1.089 . . . . 0.0 109.435 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.94 57.66 0.01 OUTLIER Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -176.59 172.6 2.14 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.152 -1.205 . . . . 0.0 110.36 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.2 176.2 12.79 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.754 -1.216 . . . . 0.0 110.392 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.549 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 81.5 m-85 -134.68 145.52 48.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.007 -1.058 . . . . 0.0 109.478 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 58' ' ' PHE . 38.7 t -142.53 121.42 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.819 -1.176 . . . . 0.0 109.652 179.353 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.76 126.29 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 120.806 -1.184 . . . . 0.0 108.427 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 56' ' ' VAL . 49.9 m-85 -107.73 152.1 24.8 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.124 -0.985 . . . . 0.0 109.337 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -49.77 110.25 0.37 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.274 -0.891 . . . . 0.0 109.234 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 71.72 -173.16 0.16 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.282 -0.886 . . . . 0.0 109.079 -178.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.93 -32.53 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.976 -1.077 . . . . 0.0 110.862 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 p -58.88 -38.13 78.13 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.833 -1.167 . . . . 0.0 110.377 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -59.83 -35.9 75.69 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.847 -1.158 . . . . 0.0 110.43 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.92 62.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.757 -1.214 . . . . 0.0 109.499 179.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -62.57 -40.35 96.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 109.361 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -39.37 72.37 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.08 -18.91 65.65 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.949 -1.094 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.39 -55.73 3.76 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.45 -1.406 . . . . 0.0 110.025 -179.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -53.85 -36.58 62.73 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.003 -1.061 . . . . 0.0 110.426 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -77.09 -33.87 56.94 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.876 -1.14 . . . . 0.0 110.295 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.7 mtp -102.3 35.26 2.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.187 . . . . 0.0 110.113 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -73.06 109.84 6.89 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.889 -1.132 . . . . 0.0 108.94 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.83 65.55 3.16 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 -179.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.22 152.56 39.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.144 -1.209 . . . . 0.0 109.683 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -81.05 105.78 1.69 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 121.895 1.73 . . . . 0.0 110.345 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.12 124.56 50.67 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.005 -1.059 . . . . 0.0 108.562 179.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.472 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 77.9 m-85 57.15 38.07 28.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.029 . . . . 0.0 109.731 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 61.25 63.47 1.22 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.917 -1.114 . . . . 0.0 110.355 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.86 142.81 1.6 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.797 -1.19 . . . . 0.0 110.0 179.434 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.54 111.43 3.01 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.409 1.406 . . . . 0.0 109.614 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -125.74 139.33 53.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.003 -1.06 . . . . 0.0 110.536 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mtm105 -119.0 147.05 44.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 108.66 179.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.45 140.76 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.0 -1.062 . . . . 0.0 110.278 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -131.25 134.58 46.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -49.91 122.08 6.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.933 -179.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 166.27 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.187 -0.945 . . . . 0.0 110.449 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.44 -52.91 22.3 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.993 -1.067 . . . . 0.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 p -105.17 179.55 4.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.078 -1.014 . . . . 0.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 25.1 m-20 -86.82 -174.09 4.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.041 -1.037 . . . . 0.0 109.182 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.33 160.04 15.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -95.94 19.11 12.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.6 pt -97.41 -43.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.464 -1.398 . . . . 0.0 109.293 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -3.7 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 O-C-N 121.03 -1.044 . . . . 0.0 109.75 179.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.62 79.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.324 -1.485 . . . . 0.0 109.522 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -70.11 -14.11 62.51 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 0.0 111.507 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.4 mmt -67.62 -46.09 73.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.886 -1.133 . . . . 0.0 107.983 179.143 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -53.18 -30.83 39.62 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.57 -40.06 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.654 -1.379 . . . . 0.0 109.654 178.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 t 179.72 -43.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.067 -1.255 . . . . 0.0 110.673 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.88 -68.74 0.4 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.751 -1.218 . . . . 0.0 109.384 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.5 2.068 0 O-C-N 120.945 -1.097 . . . . 0.0 110.152 -179.847 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 O4'-C1'-N19 110.919 2.719 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 O4'-C1'-N19 111.098 2.898 . 0.097 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 110.943 2.743 . 0.134 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.444 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 110.967 2.767 . 0.149 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.444 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.994 0 O4'-C1'-N19 111.253 3.053 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.43 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 110.828 2.628 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.538 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 C3'-C2'-C1' 104.374 3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.538 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.583 3.383 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 110.924 2.724 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.481 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 110.902 2.702 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.481 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.085 2.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C3'-C2'-C1' 104.156 2.951 . 0.358 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.441 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.966 0 C5'-C4'-C3' 111.701 -2.533 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.434 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 110.836 2.636 . 0.9 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.043 0 O4'-C1'-N19 111.001 2.801 . 0.598 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.166 2.966 . 0.156 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.176 2.976 . 0.243 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.191 2.991 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 110.91 2.71 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.022 0 O4'-C1'-N19 111.364 3.164 . 0.355 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.486 -2.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.436 ' N1 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.081 0 C5'-C4'-C3' 111.529 -2.647 . 0.637 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . 0.541 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.432 -1.72 0 O4'-C1'-N19 110.814 2.614 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.51 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.849 0 O4'-C1'-N19 110.848 2.648 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.51 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.11 2.91 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 O4'-C1'-N19 111.147 2.947 . 0.42 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 O4'-C1'-N19 111.354 3.154 . 0.038 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.075 2.875 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.325 3.125 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 C5'-C4'-C3' 111.682 -2.546 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 m -128.54 71.06 80.43 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.45 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.2 117.37 4.1 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.906 1.737 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.73 -178.42 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.136 -0.978 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.9 100.83 5.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.246 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -74.47 152.19 87.59 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.054 -1.029 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.36 144.43 20.44 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.761 1.641 . . . . 0.0 110.482 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -118.31 -65.84 1.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.49 -43.85 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -113.6 116.98 30.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.38 -0.825 . . . . 0.0 109.424 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.75 177.1 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 47.2 t80 -146.79 154.39 41.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.055 -1.028 . . . . 0.0 109.357 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.09 138.22 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.181 -0.95 . . . . 0.0 109.152 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -139.86 -175.88 4.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 109.485 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 61.38 40.87 13.63 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 109.501 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -92.75 178.03 5.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 109.332 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -85.39 155.05 21.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.977 -1.077 . . . . 0.0 109.428 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -94.06 58.41 2.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 109.545 -179.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -150.89 36.32 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.967 -1.083 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 77' ' ' TYR . 14.1 mm -93.37 155.62 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.961 -1.087 . . . . 0.0 109.625 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -105.78 27.87 8.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.18 -0.95 . . . . 0.0 111.202 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 72.69 -80.47 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 121.467 -0.771 . . . . 0.0 111.603 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.61 -26.71 63.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.391 -1.443 . . . . 0.0 108.673 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 19.4 tt0 -64.96 -42.85 94.23 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.968 -1.083 . . . . 0.0 109.838 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.49 -28.75 68.11 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.837 -1.164 . . . . 0.0 111.152 -179.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -79.02 -23.5 44.29 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.67 -1.269 . . . . 0.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.4 -31.49 33.2 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.544 -1.348 . . . . 0.0 109.917 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 m -79.18 -38.84 34.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.771 -1.206 . . . . 0.0 110.087 -179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.69 -51.68 18.34 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.91 -1.119 . . . . 0.0 109.502 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -54.42 -27.65 38.46 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.133 -0.98 . . . . 0.0 110.682 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.56 -70.38 0.53 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.66 -1.275 . . . . 0.0 110.278 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -58.39 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.955 -1.091 . . . . 0.0 112.567 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -58.87 -36.02 73.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.746 -1.221 . . . . 0.0 111.253 -178.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.8 t -61.59 -34.53 75.77 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.767 -1.208 . . . . 0.0 110.551 -179.199 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -45.64 -32.38 2.35 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.917 -1.114 . . . . 0.0 111.881 -178.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 m-85 -96.34 -39.62 9.53 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.749 -1.219 . . . . 0.0 110.784 -178.289 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 -172.57 16.46 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.424 -1.37 . . . . 0.0 110.04 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -92.22 140.7 29.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.127 -1.22 . . . . 0.0 109.203 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.24 134.79 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.004 -1.06 . . . . 0.0 109.295 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.67 -40.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.979 -1.075 . . . . 0.0 109.608 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.85 156.65 1.1 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.105 -0.997 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.7 mt -122.86 141.73 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 109.192 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.9 130.27 55.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.998 -1.064 . . . . 0.0 109.83 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.66 121.4 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.27 -178.6 3.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.981 -1.074 . . . . 0.0 109.652 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -142.82 36.17 1.42 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 0.0 110.14 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 p -95.31 177.04 5.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.84 -1.163 . . . . 0.0 108.954 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.41 -40.84 92.43 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.923 -1.11 . . . . 0.0 110.124 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -74.52 -38.91 62.68 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.927 -1.108 . . . . 0.0 109.863 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 58.48 2.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' O ' ' N1 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -110.28 120.09 41.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.987 -1.071 . . . . 0.0 109.391 -179.851 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.91 44.04 47.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -162.03 141.01 9.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.265 . . . . 0.0 110.071 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.87 -175.75 4.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.934 -1.104 . . . . 0.0 110.063 -179.755 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 36.7 m-85 -140.27 152.47 45.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.963 -1.086 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 t -134.84 133.34 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.999 -1.063 . . . . 0.0 109.197 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.92 143.84 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.028 -1.045 . . . . 0.0 109.117 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.451 ' CD1' ' CB ' ' A' ' 64' ' ' ALA . 92.5 m-85 -127.56 140.94 51.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.991 -1.068 . . . . 0.0 109.814 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.49 112.2 0.95 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.11 -0.993 . . . . 0.0 110.036 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.72 144.04 0.05 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.221 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.69 97.78 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 108.836 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 -50.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -37.56 82.29 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.167 -0.958 . . . . 0.0 108.762 179.002 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 58' ' ' PHE . . . -72.97 -29.5 63.11 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.868 -1.145 . . . . 0.0 109.291 178.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -58.53 -42.54 88.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.968 -1.083 . . . . 0.0 109.69 -179.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.5 -41.87 62.53 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.057 -1.027 . . . . 0.0 109.718 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.16 -27.09 43.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.52 -53.45 4.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.57 -1.331 . . . . 0.0 110.261 -179.082 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -49.68 -30.24 8.8 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.907 -1.121 . . . . 0.0 111.266 -179.3 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -30.51 14.97 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.772 -1.205 . . . . 0.0 110.943 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 mtp -100.89 33.7 2.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.675 -1.265 . . . . 0.0 110.463 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.58 97.68 0.62 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.846 -1.159 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.03 73.64 0.9 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.45 170.36 6.24 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.27 . . . . 0.0 109.818 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.51 146.0 21.31 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 121.935 1.757 . . . . 0.0 110.604 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -165.51 117.48 1.12 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.075 -1.016 . . . . 0.0 109.625 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.415 ' CD2' ' CD1' ' A' ' 20' ' ' ILE . 65.8 m-85 58.9 41.36 21.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.077 -1.015 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.7 t70 57.66 63.05 1.92 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.064 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -179.87 142.91 0.36 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.0 110.252 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.52 134.29 12.33 Favored 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.656 1.57 . . . . 0.0 109.875 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -143.39 130.11 20.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.022 -1.049 . . . . 0.0 110.309 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 148.08 22.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.118 -0.989 . . . . 0.0 108.586 179.244 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.4 135.29 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.098 -1.001 . . . . 0.0 110.519 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -134.1 140.63 46.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -52.13 176.46 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.791 -1.193 . . . . 0.0 109.76 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.66 178.78 7.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.041 -1.037 . . . . 0.0 109.326 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.459 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 11.1 mmtp -84.43 -49.3 8.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.021 -1.049 . . . . 0.0 109.184 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 p -114.81 179.52 3.93 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.112 -0.993 . . . . 0.0 109.358 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.441 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -75.3 -179.79 4.69 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.041 -1.037 . . . . 0.0 109.187 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -89.76 155.83 18.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 109.36 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -32.93 22.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.043 -1.036 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pp -56.94 -24.5 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.711 -1.243 . . . . 0.0 109.657 178.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -72.49 -44.13 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 120.425 -1.422 . . . . 0.0 107.364 177.886 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.18 -32.78 24.68 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.118 -0.989 . . . . 0.0 110.12 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.72 -38.35 58.64 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.757 -1.214 . . . . 0.0 110.863 -179.411 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.7 mmt -66.59 -22.76 66.13 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.29 53.73 1.18 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 175.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 100' ' ' PHE . . . 72.62 130.81 0.13 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 106.308 -2.717 . . . . 0.0 106.308 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' GLY . 7.2 t -27.6 -40.41 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 CA-C-N 117.86 0.83 . . . . 0.0 113.041 -177.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' GLY . 62.7 t80 -153.07 -58.48 0.13 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.922 179.754 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.038 . . . . 0.0 109.056 179.884 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 110.914 2.714 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 111.136 2.936 . 0.497 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 O4'-C1'-N19 110.995 2.795 . 0.209 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 O4'-C1'-N19 110.859 2.659 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.43 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.968 0 O4'-C1'-N19 110.976 2.776 . 0.314 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . 0.41 ' N6 ' ' N ' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.292 3.102 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' ' G' . . . . . 0.532 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 O4'-C1'-N19 111.539 3.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.532 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.229 0 O4'-C1'-N19 111.753 3.553 . 0.064 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.208 3.008 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.522 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 110.903 2.703 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' ' U' . . . . . 0.522 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.095 2.895 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C3'-C2'-C1' 104.185 2.983 . 0.285 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ' C' . . . . . 0.444 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.705 -2.53 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 O4'-C1'-N19 110.796 2.596 . 0.825 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 0 O4'-C1'-N19 111.129 2.929 . 0.609 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.08 2.88 . 0.194 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' ' A' . . . . . 0.468 " O2'" " C5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C3'-C2'-C1' 104.378 3.198 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.468 " C5'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 110.99 2.79 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.067 2.867 . 0.307 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 110.999 2.799 . 0.091 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.934 0 O4'-C1'-N19 110.913 2.713 . 0.377 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.458 ' N2 ' ' CB ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 O4'-C1'-N19 110.904 2.704 . 0.025 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C1'-N19 110.861 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . 0.458 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 110.857 2.657 . 0.471 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 111.533 3.333 . 0.233 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 O4'-C1'-N19 111.194 2.994 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.318 3.118 . 0.054 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' ' G' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 111.05 2.85 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 111.175 2.975 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 110.891 2.691 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 10.9 t -73.74 -46.31 7.05 Favored Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.012 -1.055 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.4 Cg_endo -79.04 149.68 22.68 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.026 1.151 . . . . 0.0 110.396 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.05 172.79 8.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.027 -1.046 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.53 77.25 1.5 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 109.698 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 1.1 mtm180 -104.89 154.33 38.71 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.096 -1.003 . . . . 0.0 109.306 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.64 137.25 16.08 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.871 1.714 . . . . 0.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -147.39 170.75 16.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.631 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -94.0 -40.22 10.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.103 -0.998 . . . . 0.0 109.733 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -99.84 124.79 45.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.018 -1.051 . . . . 0.0 109.434 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 pt -88.1 164.43 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.971 -1.08 . . . . 0.0 109.23 179.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -131.99 133.88 44.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 -179.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.29 147.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.171 179.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -140.34 -175.14 4.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.968 -1.083 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.3 t30 61.6 43.49 9.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.32 -179.84 4.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.097 -1.002 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.22 152.13 29.29 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.061 -1.024 . . . . 0.0 109.336 179.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.39 41.12 1.35 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.0 109.506 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -153.07 38.07 0.5 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.958 -1.088 . . . . 0.0 109.917 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -111.59 156.78 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.058 -1.026 . . . . 0.0 109.775 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -90.98 -178.93 5.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.156 179.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -82.48 -35.86 27.04 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.052 . . . . 0.0 109.908 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.08 -12.37 60.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.986 -1.071 . . . . 0.0 109.915 179.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -93.67 -44.38 8.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.611 -1.306 . . . . 0.0 110.083 -179.74 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.2 tp -71.18 -32.44 68.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.001 -1.062 . . . . 0.0 110.527 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -77.65 -27.36 50.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.757 -1.214 . . . . 0.0 110.261 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -31.0 57.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.524 -1.36 . . . . 0.0 110.135 179.766 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -36.9 30.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.742 -1.224 . . . . 0.0 110.443 -179.436 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 89.1 mt -69.91 -42.72 72.98 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.798 -1.189 . . . . 0.0 109.571 -179.651 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.424 ' O ' ' OG ' ' A' ' 34' ' ' SER . 11.4 t-80 -66.79 -27.6 67.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.206 -0.934 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.76 -66.97 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.698 -1.251 . . . . 0.0 110.053 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -56.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 0.0 111.306 -178.635 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.33 -37.39 77.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.827 -1.171 . . . . 0.0 110.999 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 28.5 p -61.2 -33.72 73.92 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.803 -1.185 . . . . 0.0 110.8 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -50.78 -37.36 41.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.656 -1.278 . . . . 0.0 110.404 -179.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.1 -55.03 11.97 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.93 -1.106 . . . . 0.0 109.707 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.11 -128.28 1.94 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -123.42 139.08 54.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.119 -1.224 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -105.77 129.58 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.998 -1.064 . . . . 0.0 109.513 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -75.7 -39.92 56.6 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.101 -1.0 . . . . 0.0 109.569 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.34 162.62 2.94 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.118 -0.989 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mt -132.92 132.62 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.055 -1.028 . . . . 0.0 109.465 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.43 115.22 30.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.046 -1.034 . . . . 0.0 109.382 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.8 159.87 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.12 -0.988 . . . . 0.0 109.036 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 152.35 50.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.002 -1.061 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' N6 ' ' B' ' 24' ' ' ' A' . 3.5 ttt85 -148.93 35.19 0.75 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.03 -1.044 . . . . 0.0 110.031 179.882 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p -111.3 172.11 7.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 108.863 179.659 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.15 -57.73 11.27 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.832 -1.167 . . . . 0.0 109.602 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -55.95 -41.49 74.76 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.968 -1.082 . . . . 0.0 109.562 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 mtt -105.84 59.93 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.1 OUTLIER -105.38 130.33 53.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.459 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 39.65 49.09 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.71 146.51 25.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.045 -1.268 . . . . 0.0 109.783 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.68 172.87 12.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.08 -1.012 . . . . 0.0 109.886 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.458 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 21.8 m-85 -133.59 138.75 46.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.066 -1.021 . . . . 0.0 108.933 179.779 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.02 138.96 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.874 -1.141 . . . . 0.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.93 123.17 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.94 -1.1 . . . . 0.0 108.959 179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.435 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 3.9 m-85 -100.58 153.85 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.03 . . . . 0.0 109.46 -179.765 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -61.3 -41.06 96.34 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 109.113 179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -124.75 152.82 43.32 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.41 -34.49 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.143 -0.973 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -57.99 -36.17 72.26 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.838 -1.164 . . . . 0.0 110.38 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -63.55 -36.96 85.52 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.749 -1.22 . . . . 0.0 110.218 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.59 -22.91 58.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.914 -1.117 . . . . 0.0 110.048 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 21.7 m -71.43 -42.3 68.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.78 -1.2 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -67.35 -42.26 83.8 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.109 -0.995 . . . . 0.0 109.084 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.39 72.31 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.076 -1.015 . . . . 0.0 109.798 179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -66.48 -45.54 79.29 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.816 -1.177 . . . . 0.0 109.518 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 8.92 25.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.062 -1.024 . . . . 0.0 111.745 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t -99.16 -43.68 6.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.377 -1.452 . . . . 0.0 109.802 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -107.1 37.89 2.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.003 -1.061 . . . . 0.0 109.815 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.44 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.887 -1.133 . . . . 0.0 109.172 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.05 64.5 3.23 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.39 167.83 11.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.025 -1.28 . . . . 0.0 109.788 -179.4 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 132.37 11.53 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 121.847 1.698 . . . . 0.0 110.425 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 19.0 t80 -127.3 -60.8 1.18 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.991 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' OH ' ' O ' ' A' ' 24' ' ' GLU . 2.9 m-85 -124.53 68.94 1.09 Allowed 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.078 -1.014 . . . . 0.0 109.066 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.44 41.7 18.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.001 -1.062 . . . . 0.0 109.433 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -177.65 154.15 1.01 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.083 -1.011 . . . . 0.0 109.887 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.81 149.9 26.71 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 C-N-CA 121.703 1.602 . . . . 0.0 110.007 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.6 139.15 18.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.936 -1.102 . . . . 0.0 110.397 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.92 143.24 34.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 108.541 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.33 137.39 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.993 -1.067 . . . . 0.0 110.465 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.72 134.38 47.59 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -50.06 157.24 0.66 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.901 -1.124 . . . . 0.0 109.851 -179.389 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.91 169.03 18.07 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.522 -179.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -90.67 -40.85 11.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.189 -0.945 . . . . 0.0 109.235 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.6 p -106.97 178.97 4.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.313 179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -109.75 170.69 7.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.957 -1.089 . . . . 0.0 109.498 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -99.46 161.11 13.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.01 . . . . 0.0 109.402 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.27 0.56 34.53 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.075 -1.016 . . . . 0.0 111.06 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 pp -63.76 -30.16 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.49 -1.381 . . . . 0.0 107.641 177.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' O ' ' CE ' ' A' ' 96' ' ' MET . 3.2 mm -58.25 -42.53 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.38 -46.73 85.79 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.353 -0.842 . . . . 0.0 109.052 178.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -44.77 -33.29 1.84 Allowed 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.058 -1.026 . . . . 0.0 111.644 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -63.09 167.02 5.28 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.305 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? 51.27 27.58 3.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.923 -1.111 . . . . 0.0 109.846 -179.301 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.26 64.36 4.08 Favored Glycine 0 N--CA 1.483 1.824 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.091 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 40.94 101.35 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.835 -0.803 . . . . 0.0 111.864 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 t80 50.03 -176.49 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.058 -1.026 . . . . 0.0 110.553 178.728 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 120.919 -1.113 . . . . 0.0 109.029 -179.833 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.536 0.615 0 N-CA-C 110.463 -0.63 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -150.52 -177.6 6.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 -43.13 11.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.057 -1.027 . . . . 0.0 109.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 56' ' ' VAL . 44.8 m -105.86 142.03 36.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.097 -1.002 . . . . 0.0 108.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.863 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 1.5 pt -106.55 146.8 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.013 -1.054 . . . . 0.0 109.195 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 26.1 t80 -110.83 123.19 49.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.363 -0.835 . . . . 0.0 109.111 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 HG12 ' A' ' 83' ' ' ILE . 4.5 mt -106.87 135.69 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 108.995 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -130.4 -175.23 3.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.951 -1.093 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 63.88 41.57 6.62 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.989 -1.07 . . . . 0.0 109.529 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' GLN . 66.6 mt -100.19 -175.18 2.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.066 -1.021 . . . . 0.0 109.425 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.46 154.04 35.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.982 -1.074 . . . . 0.0 109.218 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -101.47 37.68 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.954 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -149.51 34.94 0.71 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.902 -1.124 . . . . 0.0 110.108 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.6 mm -98.81 150.75 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.837 -1.164 . . . . 0.0 109.86 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -84.24 -178.55 6.97 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -85.04 -38.5 19.1 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.915 -1.116 . . . . 0.0 109.518 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -22.81 52.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.129 -0.982 . . . . 0.0 109.256 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.5 mt-10 -80.08 -42.8 22.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.761 -1.212 . . . . 0.0 110.251 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.782 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -70.25 -36.4 74.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.147 . . . . 0.0 110.171 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.87 -30.69 64.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.853 -1.154 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -71.58 -33.35 68.97 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.753 -1.217 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 68.6 m -75.33 -38.84 59.98 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.735 -1.228 . . . . 0.0 110.007 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.5 mt -66.49 -34.74 78.6 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.853 -1.154 . . . . 0.0 110.166 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -76.18 -19.26 58.6 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.918 -1.114 . . . . 0.0 111.297 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.62 -39.41 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.441 -1.412 . . . . 0.0 110.297 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -82.59 -54.93 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 120.903 -1.123 . . . . 0.0 110.617 -179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 51.1 m-85 -59.78 -36.26 76.34 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.921 -1.112 . . . . 0.0 110.272 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.542 ' N ' HD11 ' A' ' 39' ' ' ILE . 82.9 p -61.5 -36.44 80.49 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.771 -1.206 . . . . 0.0 109.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -49.56 -38.56 31.62 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.762 -1.211 . . . . 0.0 110.154 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -71.93 -54.02 11.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.982 -1.074 . . . . 0.0 109.304 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.94 -162.36 10.43 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -91.11 135.63 33.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.002 -1.293 . . . . 0.0 109.338 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 34' ' ' SER . 39.7 mt -98.99 147.21 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.011 -1.056 . . . . 0.0 109.709 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 57' ' ' ILE . 50.0 mt -87.66 -53.87 4.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.088 -1.007 . . . . 0.0 109.31 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.57 166.08 29.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 29' ' ' LEU . 56.0 mt -136.13 131.27 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.102 -0.999 . . . . 0.0 108.897 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.48 141.3 48.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.973 -1.079 . . . . 0.0 109.871 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.54 132.25 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.065 -1.022 . . . . 0.0 109.04 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -117.48 149.48 40.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 109.877 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -117.81 39.9 3.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.034 . . . . 0.0 109.742 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 178.36 6.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.983 -1.073 . . . . 0.0 109.078 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.88 -56.83 15.92 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.845 -1.159 . . . . 0.0 109.413 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -59.08 -40.2 84.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.05 -1.032 . . . . 0.0 109.299 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.1 56.65 2.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.045 -1.035 . . . . 0.0 109.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 47.56 0.9 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.873 -1.142 . . . . 0.0 109.128 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.92 60.03 0.02 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.1 pt20 -173.73 167.41 4.46 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.09 -1.241 . . . . 0.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.7 8.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.859 -1.151 . . . . 0.0 110.149 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 31.6 m-85 -137.94 133.45 33.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.022 -1.049 . . . . 0.0 109.011 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 HG13 ' A' ' 11' ' ' ILE . 12.3 p -123.11 139.8 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.95 -1.094 . . . . 0.0 109.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.668 ' CG2' HD11 ' A' ' 93' ' ' ILE . 5.2 mp -101.8 126.02 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.998 -1.064 . . . . 0.0 108.614 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.4 152.33 18.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -54.03 -39.13 65.88 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.107 -0.996 . . . . 0.0 109.79 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.13 161.34 37.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.004 -1.06 . . . . 0.0 109.809 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.9 -37.51 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.1 -1.0 . . . . 0.0 109.717 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 p -62.42 -37.25 85.09 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.949 -1.094 . . . . 0.0 109.943 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -57.11 -33.16 67.06 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.875 -1.141 . . . . 0.0 110.608 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -78.52 -31.52 47.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.699 -1.25 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 17.8 m -60.88 -41.74 96.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.915 -1.116 . . . . 0.0 109.367 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -72.94 -40.9 65.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.973 -1.08 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.46 62.87 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.945 -1.097 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -89.36 -35.97 15.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.523 -1.361 . . . . 0.0 110.529 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -63.2 -37.42 87.17 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.876 -1.14 . . . . 0.0 110.155 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.44 -31.98 18.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.896 -1.127 . . . . 0.0 110.568 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -101.41 34.18 2.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.752 -1.217 . . . . 0.0 110.232 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -82.38 93.34 7.17 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.818 -1.176 . . . . 0.0 108.866 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.54 62.68 1.84 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.85 167.35 16.29 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.091 -1.24 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.0 137.38 15.56 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.855 1.703 . . . . 0.0 110.626 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 32' ' ' ILE . 9.0 t80 -126.19 -59.73 1.31 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.085 -1.009 . . . . 0.0 108.989 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 20' ' ' ILE . 4.0 m-85 -118.98 67.44 0.78 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.04 -1.038 . . . . 0.0 109.274 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.49 40.28 17.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.631 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -173.12 152.86 2.35 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 120.977 -1.077 . . . . 0.0 109.955 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.67 146.08 23.66 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.775 1.65 . . . . 0.0 110.472 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 135.77 13.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.072 -1.017 . . . . 0.0 110.193 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -97.63 146.65 25.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 108.847 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 68' ' ' LEU . 66.9 mt -108.28 137.21 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 110.334 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -123.13 134.99 54.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -50.33 157.61 0.68 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.861 -1.149 . . . . 0.0 110.008 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.78 17.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.993 -1.067 . . . . 0.0 109.691 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -92.04 -39.69 11.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.135 -0.978 . . . . 0.0 109.677 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.1 p -117.38 179.65 3.99 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.974 -1.079 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.97 -176.44 5.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.032 -1.043 . . . . 0.0 109.269 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.06 148.34 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.049 -1.032 . . . . 0.0 109.669 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.8 -26.0 64.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.096 -1.002 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 57' ' ' ILE . 33.0 pt -67.09 -39.21 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.548 -1.345 . . . . 0.0 109.063 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.668 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.6 mp . . . . . 0 N--CA 1.505 2.3 0 O-C-N 120.99 -1.069 . . . . 0.0 109.706 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.444 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.7 Cg_endo . . . . . 0 CA--C 1.537 0.65 0 N-CA-C 110.429 -0.643 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG13 ' A' ' 61' ' ' VAL . 12.6 m120 -115.97 -179.76 3.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.121 -0.987 . . . . 0.0 109.561 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.59 -39.27 10.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 m -108.11 135.76 48.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.001 -1.062 . . . . 0.0 109.781 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.7 pp -94.11 176.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.98 . . . . 0.0 108.806 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 77.4 t80 -147.9 150.18 33.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.026 -1.046 . . . . 0.0 109.721 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.531 HD11 HD11 ' A' ' 11' ' ' ILE . 2.7 mp -138.67 144.06 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 0.0 108.797 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -143.86 -175.96 4.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 109.455 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.91 43.89 8.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 109.126 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 13' ' ' ILE . 23.1 mt -99.77 -171.16 2.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 0.0 109.179 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.53 153.1 33.72 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.972 -1.08 . . . . 0.0 109.363 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.5 42.09 1.28 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -148.17 34.91 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.474 HG12 ' CD2' ' A' ' 77' ' ' TYR . 3.6 mt -110.43 156.6 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.959 -1.088 . . . . 0.0 109.89 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -91.79 -179.95 5.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.977 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.56 -36.75 32.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.986 -1.071 . . . . 0.0 109.872 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -74.44 -20.83 59.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.095 -1.003 . . . . 0.0 109.598 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 39.5 mt-10 -81.54 -45.13 16.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.647 -1.283 . . . . 0.0 110.087 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.0 tp -71.21 -28.5 64.25 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.9 -1.125 . . . . 0.0 110.784 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -81.19 -29.56 34.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.694 -1.254 . . . . 0.0 109.918 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.35 -30.28 61.94 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.744 -1.223 . . . . 0.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -83.29 -38.27 22.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.622 -1.299 . . . . 0.0 110.213 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.51 -39.17 88.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.867 -1.146 . . . . 0.0 109.977 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' HA ' HD11 ' A' ' 42' ' ' ILE . 5.0 t-80 -66.6 -29.43 69.48 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.049 . . . . 0.0 110.743 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.31 -68.05 0.68 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.691 -1.256 . . . . 0.0 109.993 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -49.08 -55.75 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.911 -1.118 . . . . 0.0 111.371 -178.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 51.6 m-85 -61.91 -41.68 98.19 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.77 -1.206 . . . . 0.0 110.914 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -53.47 -33.45 54.25 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.739 -1.226 . . . . 0.0 110.49 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -54.52 -49.06 71.12 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.63 -1.294 . . . . 0.0 109.609 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -57.41 -59.01 5.79 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 -163.99 11.11 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.15 143.97 26.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.031 -1.276 . . . . 0.0 109.474 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 57' ' ' ILE . 60.2 mt -110.45 145.14 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.013 . . . . 0.0 109.65 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD13 ' CA ' ' A' ' 59' ' ' LYS . 3.1 mp -91.88 -41.22 10.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.143 -0.973 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -173.17 141.96 0.99 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.8 mt -111.2 131.45 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.006 -1.059 . . . . 0.0 109.326 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.37 127.76 46.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.995 -1.066 . . . . 0.0 109.715 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -133.69 127.5 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.095 -1.003 . . . . 0.0 109.152 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -119.55 159.59 24.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.961 -1.087 . . . . 0.0 109.696 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -124.31 32.03 5.61 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.041 -1.037 . . . . 0.0 110.247 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -94.0 174.91 6.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.83 -1.169 . . . . 0.0 108.787 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.92 -54.78 43.25 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.84 -1.163 . . . . 0.0 109.651 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 5.7 mtpm? -56.03 -39.93 72.69 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.934 -1.104 . . . . 0.0 109.705 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -99.85 60.91 1.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.934 -1.104 . . . . 0.0 109.449 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 119.7 40.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.949 -1.095 . . . . 0.0 109.477 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 16' ' ' LEU . . . 67.42 40.08 91.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 49' ' ' LYS . 12.0 pt20 -157.04 143.31 18.05 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.952 -1.322 . . . . 0.0 109.921 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.28 165.66 35.02 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.992 -1.068 . . . . 0.0 110.286 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.5 m-85 -118.62 152.6 35.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.97 -1.081 . . . . 0.0 109.072 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.83 117.2 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.954 -1.091 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 92' ' ' ILE . 9.9 mt -89.32 136.19 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.914 -1.116 . . . . 0.0 109.054 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 88.0 m-85 -115.45 137.07 52.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 109.507 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.502 ' CA ' HD13 ' A' ' 40' ' ' LEU . 6.8 tmtt? -50.83 -38.38 48.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.949 -1.095 . . . . 0.0 109.889 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -120.48 150.83 40.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.044 -1.035 . . . . 0.0 109.555 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 8' ' ' ASN . 38.3 t -66.75 -38.13 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.811 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -61.24 -35.48 77.35 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.981 -1.074 . . . . 0.0 110.076 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -56.73 -37.13 70.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.79 -1.194 . . . . 0.0 110.094 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -76.38 -31.0 57.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.747 -1.221 . . . . 0.0 109.635 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.522 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -59.61 -40.01 86.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.99 -1.069 . . . . 0.0 109.735 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.16 -35.4 56.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.0 -1.063 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -72.8 -10.83 60.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.769 -1.207 . . . . 0.0 111.25 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.687 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.1 tt -100.19 -41.9 6.91 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.38 -1.45 . . . . 0.0 110.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -73.97 -42.57 60.27 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.76 -1.212 . . . . 0.0 109.856 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -38.02 89.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.07 -1.019 . . . . 0.0 109.752 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -104.67 36.29 2.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -82.31 93.76 7.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.916 -1.115 . . . . 0.0 109.075 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.13 53.56 2.48 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -125.1 164.92 28.79 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.128 -1.219 . . . . 0.0 109.648 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 129.76 9.82 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.798 1.665 . . . . 0.0 110.601 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 17.3 t80 -123.59 -59.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 0.0 108.929 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.53 65.66 0.65 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.014 -1.054 . . . . 0.0 109.096 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.11 40.44 25.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.075 . . . . 0.0 109.524 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.79 153.85 2.75 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.03 -1.043 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.52 143.01 21.29 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.783 1.656 . . . . 0.0 110.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.25 140.74 22.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.968 -1.083 . . . . 0.0 110.001 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -101.23 147.08 26.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.135 -0.978 . . . . 0.0 108.912 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.5 mt -109.5 139.33 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.018 -1.051 . . . . 0.0 110.077 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -140.62 140.0 34.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.059 -1.025 . . . . 0.0 108.831 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.522 ' OH ' HG23 ' A' ' 65' ' ' THR . 20.3 m-85 -51.0 176.1 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.804 -1.185 . . . . 0.0 109.974 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.85 164.97 12.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.995 -1.066 . . . . 0.0 109.508 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -70.61 -44.12 67.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.013 -1.055 . . . . 0.0 109.167 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 p -122.02 179.8 4.4 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.123 -0.986 . . . . 0.0 109.646 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.13 -175.98 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.24 168.95 9.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.084 -1.01 . . . . 0.0 109.519 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -22.92 18.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.05 -1.031 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 HG21 ' A' ' 57' ' ' ILE . 2.0 pp -59.3 -23.93 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.58 -1.325 . . . . 0.0 109.434 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 O-C-N 120.495 -1.378 . . . . 0.0 107.524 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HB3' HG23 ' A' ' 65' ' ' THR . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.676 0 N-CA-C 110.513 -0.61 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-20 -89.2 175.34 7.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.091 -1.005 . . . . 0.0 109.267 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.604 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t60 -68.47 -37.75 80.45 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.009 -1.057 . . . . 0.0 109.783 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.7 m -107.19 156.58 18.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.917 -1.114 . . . . 0.0 109.999 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.704 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 6.3 pt -117.49 147.69 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 108.894 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 80.0 t80 -117.48 147.03 43.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.188 -0.945 . . . . 0.0 109.77 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 16' ' ' LEU . 2.9 mt -126.88 148.06 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.975 . . . . 0.0 108.616 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' O ' HD12 ' A' ' 16' ' ' LEU . 5.1 t30 -139.79 -180.0 6.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.957 -1.089 . . . . 0.0 109.9 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.93 41.42 4.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.985 -1.072 . . . . 0.0 109.648 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 13' ' ' ILE . 10.9 mp -99.3 135.18 41.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.977 -1.077 . . . . 0.0 109.43 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.57 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.6 p30 -58.86 153.75 16.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.014 -1.054 . . . . 0.0 109.008 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -101.96 56.98 0.81 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 110.119 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -147.37 32.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.895 -1.128 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 77' ' ' TYR . 11.4 mm -105.12 154.03 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.785 -1.197 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -81.05 -179.7 7.47 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.76 -39.55 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.919 -1.113 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.29 -18.69 57.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.03 -1.044 . . . . 0.0 109.476 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.1 mt-10 -84.74 -41.84 15.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.683 -1.261 . . . . 0.0 110.238 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD13 HG21 ' A' ' 20' ' ' ILE . 11.5 tp -71.91 -36.37 69.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.906 -1.121 . . . . 0.0 110.144 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -76.0 -32.56 59.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.871 -1.143 . . . . 0.0 109.883 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -72.7 -25.77 61.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.811 -1.181 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -84.21 -37.94 21.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.567 -1.333 . . . . 0.0 110.342 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' CB ' HD13 ' A' ' 42' ' ' ILE . 19.5 mt -66.36 -47.65 72.73 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.916 -1.115 . . . . 0.0 109.516 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.8 t-80 -58.68 -26.15 63.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.22 -0.925 . . . . 0.0 111.044 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.3 -70.41 0.56 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.564 -1.335 . . . . 0.0 110.211 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -44.88 -56.88 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.957 -1.089 . . . . 0.0 111.773 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.7 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 15.5 m-85 -64.43 -35.28 80.4 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.846 -1.159 . . . . 0.0 110.704 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.595 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.5 t -54.4 -35.82 63.28 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.744 -1.223 . . . . 0.0 110.298 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -47.32 61.23 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.728 -1.233 . . . . 0.0 110.132 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 71.8 m-85 -59.88 -58.01 10.42 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.002 -1.062 . . . . 0.0 109.626 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.57 -148.82 4.96 Favored Glycine 0 N--CA 1.495 2.626 0 C-N-CA 119.774 -1.203 . . . . 0.0 110.108 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -97.84 142.15 29.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.32 . . . . 0.0 109.599 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.595 HD11 ' N ' ' A' ' 34' ' ' SER . 33.3 mt -109.3 119.51 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.999 -1.063 . . . . 0.0 109.314 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 59' ' ' LYS . 97.4 mt -61.57 -41.72 97.81 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.977 -1.077 . . . . 0.0 109.33 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.44 159.64 0.71 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.012 -1.055 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' CB ' ' A' ' 29' ' ' LEU . 28.3 mt -123.73 157.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.968 . . . . 0.0 109.011 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -139.13 141.81 38.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.912 -1.118 . . . . 0.0 109.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 25' ' ' LEU . 11.0 m -140.13 121.77 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 108.968 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -104.32 177.74 4.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.039 . . . . 0.0 109.752 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -146.55 35.7 0.96 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.046 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 p -91.76 -169.62 2.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.723 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.75 -40.15 94.8 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.763 -1.211 . . . . 0.0 109.758 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -79.18 -38.75 35.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.96 -1.088 . . . . 0.0 109.928 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mmt -96.44 53.08 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.7 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -107.22 39.46 1.88 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 109.37 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.62 55.57 0.02 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -169.61 170.35 8.15 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.059 -1.26 . . . . 0.0 110.342 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.4 170.81 17.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.773 -1.205 . . . . 0.0 109.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.78 112.77 11.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.004 -1.06 . . . . 0.0 109.472 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.636 HG21 ' CE2' ' A' ' 33' ' ' PHE . 41.4 t -107.26 110.06 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.913 -1.117 . . . . 0.0 109.481 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.757 HG21 HD11 ' A' ' 92' ' ' ILE . 13.6 mt -91.71 125.23 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.155 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 71.0 m-85 -101.46 142.11 33.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.458 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -51.59 -39.72 58.47 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.982 -1.074 . . . . 0.0 109.754 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 153.76 34.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.055 -1.028 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 9' ' ' HIS . 43.4 t -69.99 -35.61 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.049 -1.032 . . . . 0.0 109.978 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 p -60.23 -37.47 80.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.895 -1.128 . . . . 0.0 110.037 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -59.2 -36.09 74.76 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.87 -1.144 . . . . 0.0 110.194 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.704 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -75.61 -29.09 59.11 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.733 -1.229 . . . . 0.0 109.648 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.6 m -63.69 -37.71 88.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.927 -1.108 . . . . 0.0 109.503 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -78.03 -32.15 50.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.69 -13.37 60.05 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.725 -1.235 . . . . 0.0 111.437 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -99.4 -43.41 6.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.391 -1.443 . . . . 0.0 110.444 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -76.82 -40.68 47.13 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 109.742 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 t -64.49 -35.81 82.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.134 -0.979 . . . . 0.0 109.81 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 63.9 mtp -103.14 36.53 2.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.32 101.93 0.27 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.99 -1.069 . . . . 0.0 109.042 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.09 68.64 1.53 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 2.4 m-85 -120.07 162.8 31.65 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.061 -1.258 . . . . 0.0 109.747 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.92 133.39 12.46 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.86 1.707 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -122.63 -59.24 1.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 0.0 108.82 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.689 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.2 m-85 -124.95 68.52 1.11 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.977 -1.077 . . . . 0.0 108.912 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.11 41.91 16.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.034 -1.041 . . . . 0.0 109.154 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -173.03 142.52 1.04 Allowed Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 120.999 -1.063 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.59 146.4 24.13 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.488 1.458 . . . . 0.0 110.149 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.69 138.45 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.995 -1.066 . . . . 0.0 110.345 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -99.92 150.13 22.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -0.99 . . . . 0.0 108.748 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.49 138.65 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.981 -1.074 . . . . 0.0 110.172 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -124.83 134.38 52.75 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 69.8 m-85 -48.39 143.14 5.01 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.019 -1.05 . . . . 0.0 110.814 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.15 -172.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -97.21 -44.42 6.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.055 . . . . 0.0 109.716 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -118.64 179.8 4.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 109.822 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.64 -174.39 5.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.065 -1.022 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.15 164.24 12.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.064 -1.022 . . . . 0.0 109.749 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.75 -35.13 39.24 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.986 -1.071 . . . . 0.0 109.944 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -54.45 -27.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.743 -1.223 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.501 2.083 0 O-C-N 120.456 -1.403 . . . . 0.0 108.397 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.537 0.647 0 N-CA-C 110.158 -0.747 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.538 ' C ' HG13 ' A' ' 61' ' ' VAL . 3.9 m120 -135.59 157.17 47.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.027 . . . . 0.0 109.597 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -57.17 -39.35 75.12 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.126 -0.984 . . . . 0.0 109.632 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.9 m -108.44 140.75 41.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.984 -1.072 . . . . 0.0 109.784 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.705 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.4 pt -100.66 147.99 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 0.0 109.152 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -118.02 122.44 43.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 0.0 109.237 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.88 148.64 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.118 -0.989 . . . . 0.0 109.057 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -146.71 -175.06 4.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.991 -1.068 . . . . 0.0 109.698 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.95 40.83 22.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.044 -1.035 . . . . 0.0 109.391 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 53' ' ' GLN . 5.6 mt -100.23 143.64 30.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.599 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.2 p30 -60.96 153.73 24.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.078 -1.014 . . . . 0.0 108.725 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -100.4 59.32 0.99 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.0 109.959 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -148.51 33.6 0.79 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.048 . . . . 0.0 110.403 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.738 HG21 HD13 ' A' ' 25' ' ' LEU . 7.1 mm -111.48 153.74 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.821 -1.175 . . . . 0.0 109.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -83.88 -178.74 7.08 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -86.87 -39.97 15.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.882 -1.137 . . . . 0.0 109.309 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.12 -23.04 54.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.082 -1.011 . . . . 0.0 109.1 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.9 tt0 -79.74 -44.31 20.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.864 -1.147 . . . . 0.0 110.127 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 20' ' ' ILE . 10.4 tp -69.86 -31.17 68.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.91 -1.119 . . . . 0.0 110.514 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 ttmt -76.35 -32.18 58.49 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.762 -1.211 . . . . 0.0 109.997 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -34.94 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.818 -1.176 . . . . 0.0 110.423 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 t -78.47 -33.51 48.26 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.763 -1.211 . . . . 0.0 110.389 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.84 -42.62 90.28 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.757 -1.214 . . . . 0.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' O ' ' OG ' ' A' ' 34' ' ' SER . 9.5 t-80 -64.56 -27.75 69.17 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.218 -0.926 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -69.4 0.58 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.611 -1.306 . . . . 0.0 110.061 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -54.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.982 -1.074 . . . . 0.0 111.906 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 39.4 m-85 -67.53 -36.5 81.14 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.839 -1.163 . . . . 0.0 111.295 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.598 ' N ' HD11 ' A' ' 39' ' ' ILE . 12.2 p -55.75 -35.42 66.17 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.659 -1.276 . . . . 0.0 110.267 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -51.42 -45.84 62.72 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.701 -1.249 . . . . 0.0 110.023 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 67.7 m-85 -53.47 -62.16 1.83 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.963 -1.085 . . . . 0.0 109.816 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.48 -122.84 1.11 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -122.65 129.94 52.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.057 -1.26 . . . . 0.0 109.398 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.598 HD11 ' N ' ' A' ' 34' ' ' SER . 13.5 mt -96.12 134.59 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 0.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.85 -42.03 18.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.056 . . . . 0.0 109.604 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.13 157.48 18.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.136 -0.978 . . . . 0.0 110.27 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.42 115.43 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.025 . . . . 0.0 109.209 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.59 112.75 24.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.855 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 26' ' ' LYS . 7.8 t -93.5 161.3 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.018 -1.051 . . . . 0.0 108.378 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.06 130.83 39.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.934 -1.103 . . . . 0.0 109.797 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -120.59 30.96 6.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.084 -1.01 . . . . 0.0 110.37 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 t -103.26 159.82 15.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.695 -1.253 . . . . 0.0 109.027 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.67 -57.27 13.45 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.853 -1.154 . . . . 0.0 109.515 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -54.19 -37.19 64.23 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.003 -1.06 . . . . 0.0 110.07 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.41 51.87 0.73 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 0.0 109.107 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -105.37 154.2 20.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.106 -0.996 . . . . 0.0 109.521 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.58 93.55 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.8 pt20 -158.73 159.89 35.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.919 -1.342 . . . . 0.0 109.827 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.44 171.12 16.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.927 -1.108 . . . . 0.0 109.912 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -132.48 132.01 42.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 109.031 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' THR . 22.4 t -129.55 147.38 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 109.562 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 1.036 HG21 HD11 ' A' ' 92' ' ' ILE . 53.4 mt -127.62 138.2 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.007 -1.058 . . . . 0.0 108.648 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE1' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -124.0 153.49 41.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.069 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 117.94 5.28 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 71.69 156.47 0.16 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 9' ' ' HIS . 35.5 t -74.84 -30.46 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.08 -1.012 . . . . 0.0 110.857 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 p -58.07 -38.48 76.43 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.746 -1.221 . . . . 0.0 110.594 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 29.3 t -58.62 -37.19 75.36 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.82 -1.175 . . . . 0.0 110.47 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.25 -28.13 56.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.723 -1.236 . . . . 0.0 109.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.757 HG22 ' HD2' ' A' ' 69' ' ' ARG . 4.3 m -59.28 -38.46 80.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.801 -1.187 . . . . 0.0 109.574 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.17 -35.17 31.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.974 -1.079 . . . . 0.0 109.843 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -64.16 -19.95 65.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.774 -1.204 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.26 -52.15 3.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.386 -1.446 . . . . 0.0 110.966 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -55.86 -40.51 73.01 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.844 -1.16 . . . . 0.0 110.163 -179.032 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 2.4 m -69.18 -33.71 73.79 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.03 -1.044 . . . . 0.0 110.331 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -101.43 35.36 2.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.761 -1.212 . . . . 0.0 110.167 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.57 96.12 1.92 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.878 -1.139 . . . . 0.0 108.946 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.8 69.43 1.4 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -130.52 161.68 59.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.266 . . . . 0.0 109.442 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 34.7 Cg_endo -76.47 138.21 19.36 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.828 1.685 . . . . 0.0 110.158 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 6.6 t80 -129.68 -59.94 1.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.109 -0.994 . . . . 0.0 109.315 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.709 ' CD2' HD12 ' A' ' 20' ' ' ILE . 2.9 m-85 -122.79 69.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.032 -1.042 . . . . 0.0 109.099 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.8 42.06 20.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.951 -1.093 . . . . 0.0 109.098 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 80' ' ' PRO . 19.3 tttp -176.79 140.91 0.49 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.116 -0.99 . . . . 0.0 109.771 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 79' ' ' LYS . 34.5 Cg_endo -76.61 148.16 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 121.399 1.399 . . . . 0.0 110.134 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.2 143.36 24.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.078 -1.014 . . . . 0.0 110.004 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -98.01 146.68 25.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.94 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.801 HG22 HD11 ' A' ' 68' ' ' LEU . 55.6 mt -112.44 137.91 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.031 -1.043 . . . . 0.0 110.153 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -132.7 135.34 45.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 108.541 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 60.5 m-85 -47.91 169.22 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.053 -1.029 . . . . 0.0 110.901 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.97 128.19 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -54.69 -37.99 66.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.906 -1.121 . . . . 0.0 109.892 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 2.7 p -99.66 178.94 4.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.935 -1.103 . . . . 0.0 109.537 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -116.82 175.87 5.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.965 -1.084 . . . . 0.0 109.538 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -98.24 165.25 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -103.09 -8.46 20.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.087 -1.008 . . . . 0.0 111.75 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 1.036 HD11 HG21 ' A' ' 57' ' ' ILE . 1.1 pt -56.56 -24.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.305 -1.497 . . . . 0.0 109.487 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.7 mm . . . . . 0 N--CA 1.499 2.013 0 O-C-N 120.56 -1.337 . . . . 0.0 108.216 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.64 0 N-CA-C 110.373 -0.664 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 m-20 -105.24 172.96 6.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.528 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.92 -39.53 34.54 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.078 -1.014 . . . . 0.0 109.438 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.5 m -107.32 156.32 19.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.994 -1.066 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.601 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 30.0 pt -113.79 160.22 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 108.579 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' ILE . 42.8 t80 -125.36 121.73 34.77 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.28 152.18 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.897 -1.127 . . . . 0.0 109.077 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.35 159.82 41.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.018 . . . . 0.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t30 71.16 71.67 0.18 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.045 -1.035 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' GLY . 30.4 mt -123.65 -175.19 3.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.004 -1.06 . . . . 0.0 109.024 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.53 148.18 48.51 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.921 -1.112 . . . . 0.0 109.171 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.92 35.49 2.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.047 -1.033 . . . . 0.0 110.289 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -154.29 38.42 0.44 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.869 -1.144 . . . . 0.0 109.705 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 25' ' ' LEU . 14.1 mm -105.08 156.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.068 -1.02 . . . . 0.0 110.583 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -173.46 3.58 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 121.402 -0.811 . . . . 0.0 109.189 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -86.87 -37.66 17.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.021 -1.049 . . . . 0.0 109.6 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.15 -22.73 48.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.121 -0.987 . . . . 0.0 109.319 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.1 tp10 -82.61 -40.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.686 -1.259 . . . . 0.0 110.281 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 29' ' ' LEU . 8.7 tp -76.88 -28.07 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.95 -1.094 . . . . 0.0 110.727 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -85.61 -24.19 27.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.625 -1.297 . . . . 0.0 109.773 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -78.06 -24.15 47.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.576 -1.328 . . . . 0.0 110.156 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -95.5 -41.93 8.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.568 -1.332 . . . . 0.0 110.954 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -77.09 -31.65 56.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.815 -1.178 . . . . 0.0 109.783 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 59.1 t-80 -66.18 -29.65 69.97 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.788 -1.195 . . . . 0.0 109.28 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.18 -58.45 3.27 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.775 -1.203 . . . . 0.0 109.754 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -57.79 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.134 . . . . 0.0 111.129 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.772 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 27.5 m-85 -63.93 -29.69 70.84 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.758 -1.214 . . . . 0.0 111.204 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -62.34 -33.04 73.92 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.736 -1.228 . . . . 0.0 111.209 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -32.48 19.86 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.638 -1.289 . . . . 0.0 110.932 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -64.6 -60.5 3.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.654 -1.279 . . . . 0.0 109.35 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.82 -96.46 0.17 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -147.87 134.91 20.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.237 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 65.3 mt -97.13 118.24 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.151 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 92' ' ' ILE . 1.1 tp -62.76 -43.2 99.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.989 -1.07 . . . . 0.0 109.355 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.98 146.32 0.24 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.1 -1.0 . . . . 0.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 55' ' ' PHE . 9.7 mt -119.39 141.77 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.092 -1.005 . . . . 0.0 109.106 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.47 134.64 53.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.994 -1.067 . . . . 0.0 110.306 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 44' ' ' VAL . 17.3 m -143.37 121.36 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -114.36 -177.73 3.2 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.884 -1.135 . . . . 0.0 110.08 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 33.07 3.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 p -85.45 172.58 10.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.705 -1.247 . . . . 0.0 108.665 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.15 -42.99 99.54 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.783 -1.198 . . . . 0.0 109.912 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -99.41 62.63 1.24 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.0 109.64 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.51 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 151.0 2.14 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.867 -1.146 . . . . 0.0 110.059 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 101.18 -36.44 4.2 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -113.92 179.45 3.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.939 -1.33 . . . . 0.0 109.177 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.35 173.14 17.11 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.994 -1.067 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 42' ' ' ILE . 97.5 m-85 -129.71 139.72 51.28 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.03 -1.043 . . . . 0.0 109.136 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.04 98.6 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.87 -1.144 . . . . 0.0 109.571 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 92' ' ' ILE . 3.3 mp -85.48 118.48 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.971 -1.081 . . . . 0.0 109.235 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -91.5 144.78 25.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.103 -0.998 . . . . 0.0 109.173 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -47.78 -36.7 12.06 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.156 -0.965 . . . . 0.0 110.914 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.98 155.75 43.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.821 -1.174 . . . . 0.0 110.008 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 8' ' ' ASN . 47.9 t -62.95 -37.18 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.096 -1.002 . . . . 0.0 109.643 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -61.44 -36.54 80.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.916 -1.115 . . . . 0.0 109.804 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -34.99 72.96 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.86 -1.15 . . . . 0.0 110.278 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.89 -28.76 55.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.751 -1.218 . . . . 0.0 109.889 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.537 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.5 m -66.36 -36.79 83.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.859 -1.151 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.34 -37.19 52.94 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.871 -1.143 . . . . 0.0 109.642 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.772 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.64 -23.83 66.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.865 -1.147 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -88.9 -36.16 16.1 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.484 -1.385 . . . . 0.0 110.405 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -66.83 -35.22 79.54 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.875 -1.141 . . . . 0.0 110.342 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -88.41 -34.11 17.66 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.909 -1.119 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.4 mtp -101.49 34.32 2.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.775 -1.203 . . . . 0.0 110.31 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 96.11 4.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.176 . . . . 0.0 108.523 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.04 60.12 2.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.41 159.21 42.64 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.123 -1.222 . . . . 0.0 109.941 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.67 140.38 20.99 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.798 1.665 . . . . 0.0 110.115 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CZ ' ' CE1' ' A' ' 77' ' ' TYR . 15.0 t80 -135.75 -61.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.128 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 m-85 -115.99 70.54 0.76 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.048 -1.032 . . . . 0.0 109.603 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.45 42.02 25.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.037 -1.039 . . . . 0.0 109.818 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 152.76 0.77 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.947 -1.096 . . . . 0.0 110.188 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.27 148.91 24.45 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.821 1.681 . . . . 0.0 110.034 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -149.14 120.9 8.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.991 -1.068 . . . . 0.0 110.073 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -91.22 151.94 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.083 -1.011 . . . . 0.0 108.809 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.573 HG22 HD11 ' A' ' 68' ' ' LEU . 57.8 mt -127.37 137.57 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.103 -0.998 . . . . 0.0 110.563 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.08 145.33 50.38 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' OH ' HG23 ' A' ' 65' ' ' THR . 11.6 m-85 -49.5 136.2 16.9 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.036 -1.04 . . . . 0.0 110.152 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.26 179.71 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.013 -1.054 . . . . 0.0 109.656 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -93.21 -47.35 6.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.685 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -111.41 178.9 4.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.01 . . . . 0.0 109.633 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -81.98 -173.16 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.033 -1.042 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.439 ' OG ' HG13 ' A' ' 92' ' ' ILE . 2.8 t -99.74 150.9 21.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.068 -1.02 . . . . 0.0 109.664 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.04 -31.41 30.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.099 -1.001 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.699 HD12 HD23 ' A' ' 40' ' ' LEU . 1.4 pt -58.72 -27.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.715 -1.241 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.504 2.259 0 O-C-N 120.443 -1.41 . . . . 0.0 109.221 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 CA--C 1.538 0.703 0 N-CA-C 110.486 -0.621 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m120 -116.9 -178.26 3.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.081 -1.012 . . . . 0.0 109.43 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.538 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.83 30.75 5.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.038 -1.039 . . . . 0.0 110.336 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.434 ' OG1' HG12 ' A' ' 57' ' ' ILE . 56.7 m -167.92 110.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.775 -1.203 . . . . 0.0 110.319 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 33' ' ' PHE . 2.9 pt -72.72 167.37 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.918 -1.114 . . . . 0.0 108.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -138.92 133.8 32.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.955 -1.09 . . . . 0.0 109.634 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 29' ' ' LEU . 3.1 mt -126.95 146.45 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.918 -1.114 . . . . 0.0 109.475 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -144.71 -173.77 4.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.023 -1.048 . . . . 0.0 109.621 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.6 OUTLIER 62.06 44.2 8.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.038 -1.039 . . . . 0.0 109.469 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLN . 44.0 mt -89.19 -173.61 4.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HB3' HD11 ' A' ' 20' ' ' ILE . 2.3 t-20 -81.13 153.11 27.46 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 109.157 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.27 42.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 109.834 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -148.24 33.93 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.912 -1.118 . . . . 0.0 110.095 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -121.22 157.22 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.084 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -94.77 -170.5 2.24 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.214 -0.929 . . . . 0.0 109.131 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -84.25 -36.42 22.72 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.027 -1.046 . . . . 0.0 110.011 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.79 -31.95 72.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.958 -1.089 . . . . 0.0 108.796 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' A' ' 20' ' ' ILE . 15.8 mt-10 -74.7 -53.25 9.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 109.398 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -51.32 -30.68 19.12 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.011 -1.056 . . . . 0.0 111.115 -179.673 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -78.55 -39.06 38.88 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.68 -1.262 . . . . 0.0 109.707 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -23.66 67.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.066 . . . . 0.0 110.943 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 24.0 m -90.96 -43.87 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.406 -1.434 . . . . 0.0 110.736 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 32' ' ' ILE . 26.2 mt -60.85 -33.54 73.21 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.888 -1.133 . . . . 0.0 110.963 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.711 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.3 t-80 -72.36 -45.82 58.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.135 . . . . 0.0 110.393 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.39 76.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.045 -1.034 . . . . 0.0 110.469 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -61.86 -53.75 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.895 -1.128 . . . . 0.0 110.951 -178.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.833 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 13.9 m-85 -96.86 43.98 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.888 -1.132 . . . . 0.0 111.275 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.5 t -114.53 -55.17 2.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.778 -1.201 . . . . 0.0 109.737 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -37.54 62.56 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.931 -1.106 . . . . 0.0 110.093 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -54.93 -62.25 1.78 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.917 -1.114 . . . . 0.0 109.892 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.93 -137.86 3.43 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.44 135.95 53.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.264 . . . . 0.0 109.505 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.711 HD12 ' CD2' ' A' ' 30' ' ' HIS . 67.6 mt -99.35 118.1 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.09 -1.006 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD23 HD12 ' A' ' 92' ' ' ILE . 1.9 tp -69.98 -41.67 74.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.052 -1.03 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -177.09 154.57 1.08 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mt -117.97 156.23 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.083 -1.011 . . . . 0.0 108.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -126.37 125.47 42.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.967 -1.083 . . . . 0.0 109.956 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.14 138.78 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.138 -0.976 . . . . 0.0 109.035 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -127.72 164.2 22.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.948 -1.095 . . . . 0.0 109.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -127.44 40.24 3.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.091 -1.006 . . . . 0.0 109.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 t -86.14 159.33 19.55 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.946 -1.096 . . . . 0.0 108.781 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 tt -49.43 -36.29 21.87 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.89 -1.131 . . . . 0.0 110.591 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.71 -30.22 16.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.006 -1.059 . . . . 0.0 110.469 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 19.8 mtp -106.26 39.78 1.74 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.771 -1.206 . . . . 0.0 110.709 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.22 37.3 1.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.769 -1.207 . . . . 0.0 110.281 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 48.41 0.11 Allowed Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.407 HE22 ' HE1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -171.08 156.81 4.94 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -1.199 . . . . 0.0 110.009 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -151.94 148.82 28.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.914 -1.116 . . . . 0.0 110.273 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HE1' HE22 ' A' ' 53' ' ' GLN . 55.5 m-85 -104.58 118.6 36.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 108.936 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -98.31 130.13 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.944 -1.097 . . . . 0.0 109.563 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.942 HG21 HD11 ' A' ' 92' ' ' ILE . 24.7 mt -114.96 142.36 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 108.825 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 28.1 m-85 -117.74 150.88 38.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.933 -1.104 . . . . 0.0 109.643 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -50.87 -39.31 53.63 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.945 -1.097 . . . . 0.0 109.754 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -116.85 176.61 5.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.963 -1.085 . . . . 0.0 109.399 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG22 ' ND1' ' A' ' 9' ' ' HIS . 26.5 t -88.41 -35.57 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.965 -1.085 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.2 p -58.41 -35.94 72.81 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.903 -1.123 . . . . 0.0 110.252 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -62.19 -37.78 86.61 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.749 -1.219 . . . . 0.0 110.139 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.52 61.92 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.925 -1.11 . . . . 0.0 109.606 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 24.2 m -69.45 -36.93 77.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.138 . . . . 0.0 109.823 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -70.51 -41.97 71.92 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.989 -1.069 . . . . 0.0 108.884 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.94 -38.69 70.64 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.038 -1.039 . . . . 0.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.69 -33.82 69.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.999 -1.063 . . . . 0.0 110.37 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -94.09 56.66 2.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.813 -1.179 . . . . 0.0 109.445 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -144.75 -60.45 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.148 -0.97 . . . . 0.0 109.245 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.8 mmm -111.02 39.59 2.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.071 -1.018 . . . . 0.0 109.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.7 111.87 1.13 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.952 -1.092 . . . . 0.0 109.136 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.25 63.66 4.36 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.34 166.15 31.35 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.035 -1.273 . . . . 0.0 109.756 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.14 123.88 6.37 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.951 1.767 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 20.0 t80 -126.2 -59.85 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.1 -1.0 . . . . 0.0 109.179 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.675 ' CE2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-85 -108.71 61.77 0.6 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.341 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.05 41.33 17.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.001 -1.062 . . . . 0.0 109.539 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 179.49 160.99 0.78 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.918 -1.114 . . . . 0.0 110.206 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.33 146.47 28.12 Favored 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.728 1.619 . . . . 0.0 110.213 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -147.16 137.34 23.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.078 . . . . 0.0 110.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -103.9 150.68 23.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.155 -0.966 . . . . 0.0 109.011 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.67 137.65 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.045 . . . . 0.0 110.101 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.19 135.54 27.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.146 -0.971 . . . . 0.0 108.777 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 14.4 m-85 -51.71 171.03 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 109.615 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.94 173.54 10.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.014 -1.054 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -86.61 -48.05 8.66 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.027 -1.045 . . . . 0.0 109.306 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.0 p -111.28 176.66 4.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.968 -1.083 . . . . 0.0 109.371 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -79.27 175.41 10.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 m -97.24 147.82 23.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 109.369 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.69 -25.62 49.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.028 -1.045 . . . . 0.0 110.758 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -58.0 -23.29 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.594 -1.316 . . . . 0.0 109.497 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.393 -1.442 . . . . 0.0 108.089 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 110.489 -0.62 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.727 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -130.07 -171.93 2.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.04 -39.54 11.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -103.35 156.64 17.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.718 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.771 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 25.3 pt -116.55 161.13 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.157 -0.964 . . . . 0.0 108.775 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 83' ' ' ILE . 70.8 t80 -128.01 149.44 50.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 109.721 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.28 146.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 108.847 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.9 p-10 -145.86 -174.99 4.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.983 -1.073 . . . . 0.0 109.726 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 66.07 41.83 3.46 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.87 -1.144 . . . . 0.0 109.397 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mt -104.61 142.35 34.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.056 -1.027 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.813 ' OD1' HD11 ' A' ' 20' ' ' ILE . 34.0 p-10 -55.25 153.15 7.31 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.07 -1.019 . . . . 0.0 109.482 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -99.78 59.04 1.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.883 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -152.35 37.17 0.53 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.975 -1.078 . . . . 0.0 109.927 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.813 HD11 ' OD1' ' A' ' 17' ' ' ASN . 3.7 mt -111.85 156.07 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.912 -1.118 . . . . 0.0 110.379 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 20' ' ' ILE . 6.2 mtpp -95.81 -177.76 4.15 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -82.7 -37.76 24.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.837 -1.164 . . . . 0.0 109.959 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.78 -22.72 58.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.068 -1.02 . . . . 0.0 109.619 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 2.8 tp10 -81.63 -42.58 19.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.711 -1.243 . . . . 0.0 110.064 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.9 tp -75.19 -19.89 59.59 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 110.772 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -86.09 -32.78 21.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.568 -1.332 . . . . 0.0 109.533 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -75.62 -29.8 59.33 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.789 -1.195 . . . . 0.0 110.286 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 m -87.11 -34.92 18.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 32' ' ' ILE . 39.3 mt -73.23 -56.06 5.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.715 -1.241 . . . . 0.0 109.615 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 3.3 t-80 -53.35 -28.43 28.81 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.113 -0.992 . . . . 0.0 110.711 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -68.39 0.58 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.284 . . . . 0.0 109.921 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.75 -59.28 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.129 -0.982 . . . . 0.0 112.28 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 35.2 m-85 -61.79 -36.51 81.3 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.696 -1.252 . . . . 0.0 110.368 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -54.56 -34.84 62.56 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.776 -1.202 . . . . 0.0 110.573 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -46.28 69.96 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.615 -1.303 . . . . 0.0 109.952 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 97.4 m-85 -55.06 -61.09 2.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.939 -1.101 . . . . 0.0 109.789 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.28 -133.45 2.21 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -110.97 136.4 50.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.026 -1.279 . . . . 0.0 109.448 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 34' ' ' SER . 40.2 mt -101.77 122.41 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.999 -1.063 . . . . 0.0 109.156 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.788 HD23 ' CD1' ' A' ' 92' ' ' ILE . 1.5 tp -68.97 -39.8 79.24 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.016 -1.053 . . . . 0.0 109.498 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -175.63 153.3 1.42 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.41 157.21 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.095 -1.003 . . . . 0.0 108.756 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -133.94 133.95 42.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.91 -1.119 . . . . 0.0 110.006 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 44' ' ' VAL . 18.6 m -142.91 122.55 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.024 . . . . 0.0 109.122 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -122.07 179.59 4.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -133.02 37.93 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.4 p -92.39 -173.26 3.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.96 -1.087 . . . . 0.0 109.206 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -50.94 25.25 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.901 -1.124 . . . . 0.0 109.875 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.66 -38.28 90.46 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.969 -1.082 . . . . 0.0 109.967 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 59.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.55 124.29 47.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.949 -1.095 . . . . 0.0 109.271 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.21 38.27 30.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 pt20 -160.99 161.6 31.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.97 -1.312 . . . . 0.0 110.168 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.19 35.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.996 -1.065 . . . . 0.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.95 144.86 39.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.401 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 33' ' ' PHE . 29.4 t -135.09 106.39 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.957 -1.089 . . . . 0.0 109.516 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.79 121.56 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 109.453 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 80.3 m-85 -95.45 142.85 27.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 0.0 109.231 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -50.61 -38.05 43.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.994 -1.066 . . . . 0.0 110.198 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 151.96 40.07 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.883 -1.136 . . . . 0.0 109.797 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.8 t -63.23 -37.58 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.072 -1.018 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 p -60.45 -31.79 70.77 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.011 -1.056 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.39 -35.16 79.48 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.679 -1.263 . . . . 0.0 110.522 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.771 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.95 -31.5 50.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.777 -1.202 . . . . 0.0 109.892 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.469 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 6.3 m -63.32 -39.78 95.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.846 -1.158 . . . . 0.0 109.598 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -73.49 -37.19 65.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.028 -1.045 . . . . 0.0 109.33 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.51 -17.75 64.79 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.86 -1.15 . . . . 0.0 110.64 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 83' ' ' ILE . 1.2 tp -87.89 -57.27 3.0 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.422 -1.423 . . . . 0.0 110.132 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -53.91 -40.42 66.67 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.942 -1.099 . . . . 0.0 110.147 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -71.84 -36.7 70.26 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.015 -1.053 . . . . 0.0 109.989 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.57 35.33 2.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.93 93.89 3.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.887 -1.133 . . . . 0.0 108.725 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.62 62.93 2.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -124.87 162.54 42.67 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.054 -1.262 . . . . 0.0 109.584 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.0 Cg_endo -77.55 135.65 14.85 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.833 1.689 . . . . 0.0 110.412 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.4 t80 -134.15 -59.99 0.82 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.144 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.573 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.1 m-85 -115.91 70.2 0.75 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.103 -0.998 . . . . 0.0 109.666 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 57.33 40.4 27.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.041 -1.037 . . . . 0.0 109.773 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.51 151.39 0.53 Allowed Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 120.935 -1.103 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.18 150.94 29.74 Favored 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.711 1.607 . . . . 0.0 109.848 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.78 139.12 17.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.956 -1.09 . . . . 0.0 110.296 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 141.59 35.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.207 -0.933 . . . . 0.0 108.873 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 68' ' ' LEU . 54.7 mt -105.0 138.9 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.032 -1.042 . . . . 0.0 109.894 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.03 135.25 48.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 108.615 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 22.3 m-85 -49.89 132.53 22.61 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.877 -1.14 . . . . 0.0 109.974 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.46 173.43 0.05 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.024 -1.047 . . . . 0.0 109.68 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.46 -42.2 11.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.088 -1.007 . . . . 0.0 109.402 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -103.4 179.38 4.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.029 -1.045 . . . . 0.0 109.6 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.18 172.91 6.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.978 -1.077 . . . . 0.0 109.438 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.442 ' OG ' HG12 ' A' ' 93' ' ' ILE . 2.5 p -75.59 136.1 40.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.067 -1.021 . . . . 0.0 109.672 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.7 -28.3 36.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.09 -1.006 . . . . 0.0 110.285 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.788 ' CD1' HD23 ' A' ' 40' ' ' LEU . 1.2 pp -57.1 -25.34 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.578 -1.326 . . . . 0.0 109.64 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.515 -1.365 . . . . 0.0 107.58 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.537 0.657 0 N-CA-C 110.302 -0.691 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -99.63 -170.74 1.94 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.007 -1.058 . . . . 0.0 109.313 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.39 33.94 2.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.896 -1.128 . . . . 0.0 110.042 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' VAL . 85.2 m -167.98 127.03 1.25 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.89 -1.131 . . . . 0.0 109.965 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.638 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.8 pt -92.17 172.38 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.971 -1.081 . . . . 0.0 109.166 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 53' ' ' GLN . 27.2 t80 -131.76 143.71 50.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.984 -1.073 . . . . 0.0 110.051 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 29' ' ' LEU . 3.2 mt -124.79 146.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 108.915 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.87 -179.12 5.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.061 -1.024 . . . . 0.0 109.841 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m120 57.23 50.2 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 0.0 109.903 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 53' ' ' GLN . 38.6 mt -93.45 -177.74 4.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.937 -1.102 . . . . 0.0 109.251 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.8 150.25 22.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.754 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.29 38.69 2.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -115.36 -57.47 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.941 -1.099 . . . . 0.0 109.315 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.018 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.6 mp -55.52 155.98 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.188 -0.945 . . . . 0.0 108.735 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.53 -168.53 1.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.54 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -83.97 -35.18 24.14 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.903 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -68.92 -38.01 79.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 6.4 mm-40 -72.27 -43.57 64.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.112 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -50.7 -44.39 58.03 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.109 -0.995 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -41.88 98.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.978 -1.076 . . . . 0.0 109.639 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.448 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -74.74 -50.49 17.23 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.659 -1.276 . . . . 0.0 110.639 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 13' ' ' ILE . 55.4 mt -56.44 -25.88 52.0 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.956 -1.09 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -83.61 -31.93 26.0 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.558 -1.339 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.3 72.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.757 -1.214 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.685 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -85.68 -53.07 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.837 -1.165 . . . . 0.0 110.915 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 41.7 m-85 -67.96 -14.74 63.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.951 -1.093 . . . . 0.0 112.113 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 t -79.85 -34.71 39.08 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.286 -1.509 . . . . 0.0 110.751 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -49.36 -31.14 8.77 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.677 -1.265 . . . . 0.0 110.954 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -71.52 -56.88 5.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.649 -1.282 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.07 -123.37 1.1 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.77 141.76 50.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.996 -1.296 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.36 115.24 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.541 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 59' ' ' LYS . 95.7 mt -59.12 -42.36 90.39 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -176.74 159.04 1.75 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.37 122.36 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.023 -1.048 . . . . 0.0 109.137 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.18 130.02 44.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.971 -1.081 . . . . 0.0 109.784 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.91 160.71 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.021 -1.049 . . . . 0.0 108.624 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.0 m -127.51 114.88 18.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.915 -1.116 . . . . 0.0 109.764 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -97.93 -29.97 13.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.033 -1.042 . . . . 0.0 111.028 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -48.22 170.51 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.644 -1.285 . . . . 0.0 110.517 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -52.12 11.02 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.029 -1.044 . . . . 0.0 109.759 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -50.39 -37.19 36.2 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.958 -1.089 . . . . 0.0 110.16 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.498 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 16.6 mtp -113.42 57.35 0.68 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.979 -1.076 . . . . 0.0 109.052 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -105.21 157.74 17.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 0.0 109.676 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.01 34.83 73.75 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.7 pt20 -155.4 174.81 14.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.881 -1.364 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 171.86 11.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -131.57 130.31 42.09 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.004 -1.06 . . . . 0.0 108.932 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 10' ' ' THR . 25.7 t -113.34 141.54 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.88 -1.138 . . . . 0.0 109.653 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' ILE . 10.5 mt -119.55 125.63 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 109.263 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.38 150.51 23.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.066 . . . . 0.0 109.532 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' A' ' 40' ' ' LEU . 15.2 tttt -61.68 -42.66 99.24 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.019 -1.051 . . . . 0.0 108.98 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.13 145.29 38.86 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.158 -0.964 . . . . 0.0 109.195 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.58 -37.52 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.992 -1.068 . . . . 0.0 109.793 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -33.19 70.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.992 -1.068 . . . . 0.0 110.396 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 m -60.34 -39.92 88.82 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.669 -1.269 . . . . 0.0 109.796 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.95 -27.34 61.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.929 -1.107 . . . . 0.0 109.58 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.55 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -68.01 -32.61 73.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.874 -1.141 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.01 -39.04 43.39 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.716 -1.24 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.57 80.35 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.939 -1.101 . . . . 0.0 109.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -39.07 64.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.908 -1.12 . . . . 0.0 109.853 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HD2' HG22 ' A' ' 65' ' ' THR . 5.0 mtp180 -75.4 -8.55 56.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.929 -1.107 . . . . 0.0 111.465 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t -120.16 17.47 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.314 -1.491 . . . . 0.0 110.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.73 40.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.506 -1.371 . . . . 0.0 109.578 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.46 117.69 20.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.093 -1.005 . . . . 0.0 109.183 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.82 60.1 9.54 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -118.7 155.97 52.0 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.183 -1.186 . . . . 0.0 109.522 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.55 130.8 11.03 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.837 1.691 . . . . 0.0 110.147 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' HD11 ' A' ' 32' ' ' ILE . 16.3 t80 -125.83 -63.51 1.12 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.034 -1.041 . . . . 0.0 109.061 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 1.018 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.3 m-85 -115.6 67.23 0.7 Allowed 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.129 -0.982 . . . . 0.0 109.436 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 59.28 40.96 20.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.549 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -176.45 155.9 1.43 Allowed Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.005 -1.06 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -77.88 142.85 20.3 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.827 1.685 . . . . 0.0 110.043 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.6 141.89 27.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 110.097 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -107.54 147.04 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.042 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.14 138.4 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.091 -1.006 . . . . 0.0 110.006 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 140.18 35.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 108.73 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 15.6 m-85 -52.26 169.47 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.742 -1.224 . . . . 0.0 109.538 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.55 177.56 6.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.041 -1.037 . . . . 0.0 109.317 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -89.42 -45.85 9.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.03 -1.044 . . . . 0.0 109.4 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 p -103.9 179.27 4.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.273 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.45 171.78 9.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.082 . . . . 0.0 109.343 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -76.35 144.7 39.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.024 -1.048 . . . . 0.0 109.235 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.47 -30.29 30.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 110.312 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 57' ' ' ILE . 1.4 pp -56.6 -26.48 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.557 -1.34 . . . . 0.0 109.418 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.537 0.629 0 N-CA-C 110.334 -0.679 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -134.06 -69.83 0.53 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.836 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER 171.51 -45.57 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.9 m -103.23 129.5 50.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.538 -0.726 . . . . 0.0 109.553 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' A' ' 64' ' ' ALA . 8.0 pt -89.81 164.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.132 -0.98 . . . . 0.0 108.992 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 68.1 t80 -138.02 117.41 12.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.62 HD11 ' CE2' ' A' ' 33' ' ' PHE . 5.5 mt -91.31 155.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.027 -1.046 . . . . 0.0 109.424 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -142.6 175.71 9.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.97 -1.081 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 58.91 55.83 4.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 0.0 109.377 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.62 -174.21 2.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.074 -1.016 . . . . 0.0 109.305 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -91.71 152.38 20.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.004 -1.06 . . . . 0.0 108.942 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.45 39.25 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.0 110.072 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -148.57 33.88 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.985 -1.072 . . . . 0.0 110.223 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.862 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.9 mm -103.36 153.84 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.882 -1.136 . . . . 0.0 109.79 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -86.83 -176.16 5.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 108.653 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -87.64 -39.74 14.78 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.904 -1.123 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.67 -29.16 58.97 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 43.2 mm-40 -72.15 -47.53 50.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.127 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.824 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -66.05 -33.06 74.93 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.883 -1.136 . . . . 0.0 110.481 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.83 -23.75 58.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.81 -1.181 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -78.76 -32.97 46.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.506 -1.371 . . . . 0.0 109.955 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 50.4 m -76.7 -38.24 54.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.754 -1.216 . . . . 0.0 110.227 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 32' ' ' ILE . 10.5 mt -70.98 -41.07 71.48 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.907 -1.121 . . . . 0.0 109.717 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.79 -32.11 65.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.1 -1.0 . . . . 0.0 110.246 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.03 -69.22 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.892 -1.13 . . . . 0.0 110.173 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.1 -61.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 112.353 -178.349 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 56' ' ' VAL . 32.4 m-85 -61.64 -32.27 72.42 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.706 -1.246 . . . . 0.0 111.136 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.7 t -60.78 -33.36 72.85 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.616 -1.302 . . . . 0.0 110.592 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -48.02 -36.96 13.75 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.729 -1.232 . . . . 0.0 110.932 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.08 71.22 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.946 -1.096 . . . . 0.0 110.194 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.67 -151.83 19.03 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -123.23 149.07 45.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.086 -1.243 . . . . 0.0 109.399 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 34' ' ' SER . 30.0 mt -99.56 130.56 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.08 -1.012 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.68 -41.44 23.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.001 -1.062 . . . . 0.0 109.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -166.52 157.44 12.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.095 -1.003 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.24 121.81 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 0.0 109.034 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.85 130.69 48.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.054 -1.029 . . . . 0.0 109.991 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.89 136.53 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.131 -0.98 . . . . 0.0 108.881 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -133.47 159.97 38.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.961 -1.087 . . . . 0.0 109.973 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -129.76 38.35 3.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.004 . . . . 0.0 109.623 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -89.17 166.52 13.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.928 -1.107 . . . . 0.0 108.83 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -40.83 76.25 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.879 -1.138 . . . . 0.0 109.663 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -72.84 -39.9 66.16 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.06 -1.025 . . . . 0.0 109.66 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.93 56.64 1.72 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.96 -1.088 . . . . 0.0 109.394 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.68 129.29 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.97 -1.081 . . . . 0.0 109.459 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.94 41.11 41.98 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 pt20 -162.11 153.47 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.03 -1.276 . . . . 0.0 110.028 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.2 170.43 15.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.001 -1.062 . . . . 0.0 109.801 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -130.08 134.9 47.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.089 -1.007 . . . . 0.0 109.19 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.676 HG21 ' CE2' ' A' ' 33' ' ' PHE . 61.8 t -130.26 148.34 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.965 -1.085 . . . . 0.0 109.525 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.875 HD13 ' CD1' ' A' ' 92' ' ' ILE . 9.8 mt -125.48 146.95 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.105 -0.997 . . . . 0.0 108.907 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 59.0 m-85 -119.88 154.36 34.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.996 -1.065 . . . . 0.0 109.522 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -53.11 -40.64 64.32 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.007 -1.058 . . . . 0.0 109.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.44 177.03 6.41 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.134 -0.979 . . . . 0.0 109.492 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' ND1' ' A' ' 9' ' ' HIS . 41.1 t -79.84 -37.51 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.044 -1.035 . . . . 0.0 109.817 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.3 p -59.64 -35.9 75.32 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.971 -1.081 . . . . 0.0 110.285 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.448 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 3.5 m -59.39 -37.99 79.37 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.85 -1.156 . . . . 0.0 110.199 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.12 -28.91 61.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.881 -1.137 . . . . 0.0 109.524 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.534 HG23 ' OH ' ' A' ' 85' ' ' TYR . 5.4 m -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.916 -1.115 . . . . 0.0 109.388 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.66 -42.49 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.982 -1.074 . . . . 0.0 108.862 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.28 46.25 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.086 -1.008 . . . . 0.0 110.203 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.854 HD12 HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -79.47 -37.72 36.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.74 -1.225 . . . . 0.0 109.801 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -94.57 56.2 2.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.863 -1.148 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 m -154.11 -58.38 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.138 -0.977 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 80.6 mtp -106.38 37.58 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.074 -1.016 . . . . 0.0 109.458 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.75 98.95 0.06 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.94 -1.1 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.17 62.67 1.79 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.4 m-85 -112.44 163.56 17.51 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.205 -1.174 . . . . 0.0 109.893 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.66 124.45 6.32 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.916 1.744 . . . . 0.0 110.766 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -137.85 109.84 7.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.993 -1.067 . . . . 0.0 108.77 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.862 ' CD2' HD12 ' A' ' 20' ' ' ILE . 71.4 m-85 72.81 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 117.859 0.299 . . . . 0.0 110.419 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -154.9 47.59 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.572 -1.33 . . . . 0.0 110.355 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 179.84 153.44 0.62 Allowed Pre-proline 0 N--CA 1.5 2.055 0 O-C-N 120.98 -1.075 . . . . 0.0 110.2 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.03 146.75 25.98 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.728 1.618 . . . . 0.0 109.986 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -139.33 127.61 22.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.908 -1.12 . . . . 0.0 110.269 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -94.99 153.87 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.854 HG22 HD12 ' A' ' 68' ' ' LEU . 57.9 mt -110.91 135.48 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.019 . . . . 0.0 110.84 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.466 ' CA ' HD11 ' A' ' 68' ' ' LEU . 23.2 pt20 -145.08 136.33 25.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' OH ' HG23 ' A' ' 65' ' ' THR . 14.7 m-85 -46.83 167.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.962 -1.087 . . . . 0.0 110.928 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.56 -169.71 2.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.159 -0.963 . . . . 0.0 109.424 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -90.89 -46.7 8.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.968 -1.083 . . . . 0.0 109.061 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -124.97 -179.39 4.53 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.46 -176.01 4.03 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.459 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 13.7 t -99.35 153.55 18.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.939 -1.101 . . . . 0.0 109.679 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -76.14 -28.63 57.48 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.038 -1.039 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' A' ' 57' ' ' ILE . 33.6 pt -60.26 -23.45 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.649 -1.282 . . . . 0.0 109.48 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.797 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.936 0 O-C-N 120.597 -1.314 . . . . 0.0 107.789 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.535 0.543 0 N-CA-C 110.666 -0.551 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -135.97 -66.71 0.54 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.174 -0.954 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.44 -45.03 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.291 -0.881 . . . . 0.0 108.674 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -106.17 157.74 17.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.444 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' HB1' ' A' ' 64' ' ' ALA . 31.8 pt -116.15 163.68 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 83' ' ' ILE . 93.6 t80 -122.74 120.05 32.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.136 -0.977 . . . . 0.0 110.554 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.598 ' CG2' HD11 ' A' ' 16' ' ' LEU . 5.9 mt -96.66 137.33 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.037 -1.039 . . . . 0.0 108.498 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -133.44 160.89 36.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 109.648 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.15 49.42 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.141 . . . . 0.0 109.311 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.701 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.2 mp -85.07 -174.98 5.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.178 -0.951 . . . . 0.0 108.982 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 157.84 20.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.88 40.55 1.36 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -154.3 40.72 0.48 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.425 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 77' ' ' TYR . 4.2 mt -102.02 154.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 108.875 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -115.72 31.17 6.88 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.097 -1.041 . . . . 0.0 112.471 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.75 -73.28 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 O-C-N 121.422 -0.799 . . . . 0.0 112.07 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.27 -27.48 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.624 -1.298 . . . . 0.0 109.364 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 5.1 tt0 -71.14 -41.93 69.82 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.31 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD21 ' CD2' ' A' ' 16' ' ' LEU . 4.9 tp -69.24 -20.71 63.95 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.027 -1.046 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -86.25 -28.9 23.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.531 -1.356 . . . . 0.0 110.101 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -77.57 -29.7 52.27 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.005 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 54.8 m -87.59 -37.51 16.76 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.794 -1.191 . . . . 0.0 110.221 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 25' ' ' LEU . 86.4 mt -71.96 -53.77 12.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.857 -1.152 . . . . 0.0 109.488 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -53.35 -27.86 25.75 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.213 -0.929 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.19 -69.89 0.54 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.681 -1.262 . . . . 0.0 110.172 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.92 -60.07 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.031 -1.043 . . . . 0.0 112.017 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 32' ' ' ILE . 87.8 m-85 -59.28 -36.91 76.41 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.786 -1.196 . . . . 0.0 110.601 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -54.42 -37.92 65.67 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.783 -1.198 . . . . 0.0 110.449 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -51.19 -45.91 61.96 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.74 -1.225 . . . . 0.0 110.341 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 98.6 m-85 -57.28 -59.67 4.78 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.077 -1.015 . . . . 0.0 109.797 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 -126.95 1.63 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.68 138.01 54.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.298 . . . . 0.0 109.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -101.35 126.11 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 0.0 109.23 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HB2' ' A' ' 59' ' ' LYS . 3.0 tp -78.08 -40.48 38.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.038 -1.038 . . . . 0.0 109.509 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.73 141.86 0.87 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.082 -1.012 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 56' ' ' VAL . 41.6 mt -113.64 128.67 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -100.41 127.58 46.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.067 -1.021 . . . . 0.0 109.637 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.94 134.14 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 163.42 25.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.834 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -135.92 40.03 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 109.557 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 p -91.53 162.05 14.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 109.379 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.94 -38.88 73.54 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.988 -1.07 . . . . 0.0 110.005 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -75.86 -37.47 58.9 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.889 -1.132 . . . . 0.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtp -104.41 60.47 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.908 -1.12 . . . . 0.0 109.323 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -109.83 139.79 44.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.038 -1.039 . . . . 0.0 109.567 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.78 37.58 84.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -166.03 142.38 5.08 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.939 -1.33 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.57 -171.23 3.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.977 -1.077 . . . . 0.0 109.887 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 27.8 m-85 -140.42 142.37 35.44 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 42' ' ' ILE . 17.3 t -125.65 109.21 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.944 -1.098 . . . . 0.0 109.404 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 92' ' ' ILE . 23.4 mt -89.99 133.99 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.963 -1.086 . . . . 0.0 109.556 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.02 137.57 51.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.154 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 40' ' ' LEU . 2.3 ttpm? -49.49 -38.25 29.39 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.079 -1.013 . . . . 0.0 109.915 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -112.8 153.46 27.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.005 -1.059 . . . . 0.0 109.359 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.39 -37.28 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.954 -1.091 . . . . 0.0 109.761 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 p -60.57 -29.87 69.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.985 -1.072 . . . . 0.0 110.492 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -35.03 79.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.59 -30.14 56.85 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.739 -1.225 . . . . 0.0 109.677 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.51 HG23 ' OH ' ' A' ' 85' ' ' TYR . 39.5 m -70.23 -31.24 68.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.76 -38.68 38.03 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.788 -1.195 . . . . 0.0 109.37 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 36' ' ' PHE . . . -65.36 -29.11 69.8 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.935 -1.103 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -82.91 -35.63 25.94 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.691 -1.255 . . . . 0.0 110.555 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -65.69 -36.87 84.86 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.866 -1.146 . . . . 0.0 110.465 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -85.29 -29.59 24.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.966 -1.084 . . . . 0.0 110.776 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.57 36.58 2.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.727 -1.233 . . . . 0.0 109.928 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.02 93.62 5.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.95 -1.094 . . . . 0.0 109.104 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.11 61.13 2.05 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -127.14 161.7 52.51 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.065 -1.256 . . . . 0.0 109.404 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.1 139.32 16.96 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.844 1.696 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 43.9 t80 -135.03 -60.89 0.76 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.007 -1.058 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.0 m-85 -113.51 66.61 0.66 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.08 -1.013 . . . . 0.0 109.82 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.9 42.21 13.3 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.997 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.42 154.79 0.53 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.882 -1.136 . . . . 0.0 110.217 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.78 148.45 25.48 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.932 1.755 . . . . 0.0 109.993 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -155.03 138.87 16.24 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.947 -1.096 . . . . 0.0 110.374 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -108.75 147.62 31.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.083 -1.01 . . . . 0.0 108.889 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG22 HD11 ' A' ' 68' ' ' LEU . 32.6 mt -116.32 146.3 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.044 . . . . 0.0 110.37 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -142.23 139.54 32.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 108.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' OH ' HG23 ' A' ' 65' ' ' THR . 22.0 m-85 -45.92 138.94 4.61 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.058 -1.026 . . . . 0.0 110.792 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.57 -171.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -81.78 -49.64 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.954 -1.092 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 p -119.56 179.62 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.974 -1.079 . . . . 0.0 109.833 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.04 -173.03 1.16 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.083 -1.01 . . . . 0.0 109.089 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -95.82 157.48 15.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.23 -31.03 17.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.09 -1.006 . . . . 0.0 110.35 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -57.52 -28.55 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.659 -1.276 . . . . 0.0 110.624 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.505 2.304 0 O-C-N 120.455 -1.403 . . . . 0.0 109.307 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.5 Cg_endo . . . . . 0 CA--C 1.537 0.659 0 N-CA-C 110.308 -0.689 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.768 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m-80 -100.67 -175.84 3.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.025 . . . . 0.0 109.547 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.43 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t60 -90.99 -39.39 12.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.065 -1.022 . . . . 0.0 109.629 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 56' ' ' VAL . 82.5 m -104.85 140.35 38.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.928 -1.107 . . . . 0.0 109.718 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.3 pt -97.24 168.23 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.992 . . . . 0.0 109.084 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 30.8 t80 -142.15 122.93 14.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.106 -0.996 . . . . 0.0 109.084 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.683 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.8 mt -96.2 153.19 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.011 -1.056 . . . . 0.0 109.242 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -142.1 173.12 11.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.982 -1.074 . . . . 0.0 109.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.38 53.22 5.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.991 -1.068 . . . . 0.0 109.222 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 13' ' ' ILE . 49.1 mt -94.27 -174.58 3.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.996 -1.065 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.654 ' HB3' HD11 ' A' ' 20' ' ' ILE . 4.1 t30 -85.82 149.54 25.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.989 -1.069 . . . . 0.0 109.419 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -102.35 38.43 1.69 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.065 -1.022 . . . . 0.0 109.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -151.74 36.56 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.934 -1.104 . . . . 0.0 109.988 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.917 HD12 ' CD2' ' A' ' 77' ' ' TYR . 6.7 mm -103.52 158.92 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.042 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -83.5 179.99 7.5 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -83.29 -41.91 17.75 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 108.899 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.96 -16.38 60.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.137 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.666 ' HB3' HG22 ' A' ' 20' ' ' ILE . 3.6 tp10 -81.7 -43.19 18.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.665 -1.272 . . . . 0.0 110.219 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 29' ' ' LEU . 6.1 mt -69.59 -38.21 77.23 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 118.602 -1.239 . . . . 0.0 109.876 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.13 -29.96 63.26 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.895 -1.128 . . . . 0.0 110.568 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -75.62 -26.81 58.12 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.691 -1.256 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -36.2 24.14 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.5 mt -70.66 -41.61 71.88 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.839 -1.163 . . . . 0.0 109.241 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -65.17 -28.25 69.27 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.065 -1.022 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.6 -69.78 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.635 -1.29 . . . . 0.0 109.655 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -59.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.985 -1.072 . . . . 0.0 111.712 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -58.7 -32.85 69.54 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.693 -1.254 . . . . 0.0 111.263 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -63.18 -34.69 78.18 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.657 -1.277 . . . . 0.0 111.151 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -49.96 -30.46 10.45 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.627 -1.295 . . . . 0.0 111.07 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 38.2 m-85 -81.05 -51.8 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.735 -1.228 . . . . 0.0 109.381 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 -175.7 26.06 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.89 143.81 39.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.069 -1.254 . . . . 0.0 109.491 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.6 mt -104.47 117.18 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 109.274 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' LYS . 7.0 mp -58.52 -42.88 88.73 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.036 -1.04 . . . . 0.0 109.587 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.51 163.39 5.43 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.108 -0.995 . . . . 0.0 110.525 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.4 mt -139.4 139.05 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.195 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -124.87 145.95 49.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.932 -1.105 . . . . 0.0 109.694 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.45 129.77 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.115 -0.991 . . . . 0.0 109.367 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -100.64 164.46 11.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.997 -1.064 . . . . 0.0 109.697 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -150.03 37.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 110.107 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 p -92.5 170.22 9.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.95 -1.094 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -49.34 75.79 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.864 -1.148 . . . . 0.0 109.605 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.063 -1.023 . . . . 0.0 109.868 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 mtp -108.93 65.5 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.868 -1.145 . . . . 0.0 109.703 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -99.14 49.86 0.95 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.119 . . . . 0.0 109.669 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.22 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 16' ' ' LEU . 3.4 pt20 -157.51 175.77 13.52 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.008 -1.289 . . . . 0.0 110.084 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.96 20.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.9 -1.125 . . . . 0.0 110.451 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -132.92 133.3 43.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 109.23 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 10' ' ' THR . 41.0 t -124.04 139.18 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.007 -1.058 . . . . 0.0 109.685 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 92' ' ' ILE . 42.1 mt -114.68 119.68 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.963 -1.086 . . . . 0.0 109.061 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 5.2 m-85 -96.15 155.65 16.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.965 -1.084 . . . . 0.0 109.529 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HA ' HD13 ' A' ' 40' ' ' LEU . 33.7 tttt -54.79 -38.95 67.91 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.981 -1.074 . . . . 0.0 109.909 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -133.91 164.12 28.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.968 -1.082 . . . . 0.0 109.854 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' ASN . 57.7 t -63.95 -36.36 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.112 -0.993 . . . . 0.0 109.843 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 p -61.95 -38.4 88.36 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.021 -1.049 . . . . 0.0 109.817 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.5 m -58.12 -33.61 69.32 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.93 -30.26 50.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.792 -1.192 . . . . 0.0 109.904 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.585 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -62.1 -44.6 96.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.899 -1.126 . . . . 0.0 109.614 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -42.14 72.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.985 -1.072 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -56.83 -25.97 57.27 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.999 -1.063 . . . . 0.0 110.802 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.552 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.52 -31.42 17.64 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.553 -1.342 . . . . 0.0 111.108 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -67.73 -57.53 6.19 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.716 -1.24 . . . . 0.0 109.623 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 59.8 p -64.55 -30.43 71.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.152 -0.968 . . . . 0.0 110.647 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -100.62 32.84 2.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.643 -1.285 . . . . 0.0 110.563 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -77.09 102.23 6.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.844 -1.16 . . . . 0.0 108.269 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.75 71.17 1.08 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -116.65 172.51 3.79 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.081 -1.246 . . . . 0.0 110.014 -179.002 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.2 Cg_endo -78.38 144.23 20.22 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 121.957 1.771 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -157.58 101.54 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.441 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.917 ' CD2' HD12 ' A' ' 20' ' ' ILE . 84.1 m-85 60.17 51.21 5.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.933 . . . . 0.0 109.933 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 t70 55.3 63.73 2.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.0 110.247 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -178.84 137.69 0.34 Allowed Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 120.907 -1.121 . . . . 0.0 110.243 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.99 132.84 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 C-N-CA 121.539 1.493 . . . . 0.0 109.947 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -139.52 132.38 29.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.994 -1.066 . . . . 0.0 110.151 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 -96.69 151.4 19.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 0.0 108.61 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 HD11 ' A' ' 68' ' ' LEU . 68.8 mt -109.6 136.1 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.035 . . . . 0.0 110.379 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -130.71 140.18 50.33 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.585 ' OH ' HG23 ' A' ' 65' ' ' THR . 10.4 m-85 -50.61 173.99 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.828 -1.17 . . . . 0.0 110.095 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 179.24 5.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.643 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.19 -38.7 16.15 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.072 -1.017 . . . . 0.0 109.685 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.6 p -136.73 179.72 6.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.904 -1.123 . . . . 0.0 110.035 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.53 179.96 2.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.166 -0.959 . . . . 0.0 109.432 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.418 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 0.3 OUTLIER -90.23 171.38 9.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.025 -1.047 . . . . 0.0 109.554 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.54 -29.96 25.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.074 -1.016 . . . . 0.0 110.205 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.806 HD11 HG21 ' A' ' 57' ' ' ILE . 32.9 pt -63.8 -21.84 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.703 -1.248 . . . . 0.0 109.153 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.779 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.571 -1.331 . . . . 0.0 108.103 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 CA--C 1.536 0.61 0 N-CA-C 110.169 -0.743 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.4 m120 -91.31 -176.98 4.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.128 -0.982 . . . . 0.0 109.5 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -38.09 54.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 109.621 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 HG13 ' A' ' 57' ' ' ILE . 87.1 m -103.32 156.28 17.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.931 -1.106 . . . . 0.0 110.102 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.441 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -119.72 146.91 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.0 108.856 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 53' ' ' GLN . 24.3 t80 -121.66 119.91 33.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.4 mt -100.4 150.02 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 109.08 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -129.43 174.23 9.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.074 . . . . 0.0 109.69 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.4 t30 59.29 56.56 3.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.067 -1.021 . . . . 0.0 109.333 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 53' ' ' GLN . 7.7 mp -101.32 43.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.965 -1.084 . . . . 0.0 109.742 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . 30.2 t30 56.29 162.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.126 -0.984 . . . . 0.0 111.023 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.49 50.18 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.948 . . . . 0.0 109.461 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -153.08 37.89 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.974 -1.079 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.9 mm -91.47 154.1 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.061 -1.024 . . . . 0.0 109.449 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.84 28.44 7.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 111.189 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.4 -79.65 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.525 -0.734 . . . . 0.0 111.818 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -26.26 63.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.398 -1.439 . . . . 0.0 108.92 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.4 -41.86 88.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.013 -1.054 . . . . 0.0 109.795 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HB2' HG21 ' A' ' 20' ' ' ILE . 6.7 tp -68.81 -23.01 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.838 -1.164 . . . . 0.0 111.18 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -79.57 -32.76 42.07 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.512 -1.367 . . . . 0.0 110.149 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -35.63 66.05 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.883 -1.135 . . . . 0.0 109.863 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 15.6 m -74.39 -38.16 63.21 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.863 -1.148 . . . . 0.0 109.932 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.77 -34.24 77.4 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.921 -1.112 . . . . 0.0 110.358 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CB ' ' A' ' 34' ' ' SER . 8.5 t60 -71.77 -19.03 62.08 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.854 -1.154 . . . . 0.0 111.605 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -52.12 5.22 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.336 -1.477 . . . . 0.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -59.75 -48.5 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 110.569 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 33.5 m-85 -92.13 29.26 1.67 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.975 -1.078 . . . . 0.0 112.44 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.4 t -110.66 -54.33 2.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.491 -1.381 . . . . 0.0 109.667 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.19 -34.64 10.38 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.939 -1.101 . . . . 0.0 110.675 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -56.89 -58.21 9.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.805 -1.185 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -107.59 0.35 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -139.85 137.79 35.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.055 -1.262 . . . . 0.0 109.237 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 33' ' ' PHE . 49.1 mt -99.63 115.55 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.996 -1.065 . . . . 0.0 109.622 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.67 -40.5 80.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.063 -1.023 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -171.23 150.03 2.9 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.041 -1.037 . . . . 0.0 110.414 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.4 mt -125.55 114.49 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.978 . . . . 0.0 109.206 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.29 143.43 26.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.07 -1.019 . . . . 0.0 109.719 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.84 131.51 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.073 -1.017 . . . . 0.0 109.039 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -108.11 135.77 48.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 109.825 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -118.83 39.37 3.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 109.559 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -99.61 166.51 11.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.995 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.44 -47.36 84.24 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.923 -1.111 . . . . 0.0 109.5 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -55.82 -39.74 71.79 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.077 . . . . 0.0 109.686 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -113.86 67.8 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.991 -1.068 . . . . 0.0 109.476 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.02 48.17 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.032 -1.042 . . . . 0.0 109.431 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.86 56.27 0.01 OUTLIER Glycine 0 N--CA 1.497 2.723 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.674 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.83 178.47 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.056 -1.261 . . . . 0.0 109.474 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -154.72 156.87 37.17 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -127.41 117.6 22.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.115 -0.991 . . . . 0.0 108.881 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 33' ' ' PHE . 21.3 t -128.27 105.94 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.882 -1.137 . . . . 0.0 109.673 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.691 ' CG2' HD11 ' A' ' 92' ' ' ILE . 2.4 mt -99.76 124.62 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.988 . . . . 0.0 108.911 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.651 ' HD1' ' HB2' ' A' ' 64' ' ' ALA . 88.6 m-85 -92.32 152.48 19.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' CA ' HD13 ' A' ' 40' ' ' LEU . 32.0 tttt -50.08 -39.89 43.78 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.018 -1.051 . . . . 0.0 109.671 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.62 149.77 41.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.054 -1.029 . . . . 0.0 109.178 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 8' ' ' ASN . 7.1 p -62.61 -30.84 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.993 -1.067 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.18 86.29 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.752 -1.218 . . . . 0.0 109.564 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -58.68 -32.97 69.62 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.844 -1.16 . . . . 0.0 110.223 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB2' ' HD1' ' A' ' 58' ' ' PHE . . . -78.53 -29.73 46.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.733 -1.229 . . . . 0.0 109.701 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.476 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -62.39 -37.18 84.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.806 -1.184 . . . . 0.0 110.063 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -81.44 -37.08 28.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.9 -1.125 . . . . 0.0 109.893 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.713 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -61.55 -26.6 68.05 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.775 -1.203 . . . . 0.0 110.909 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.08 -37.19 12.28 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.566 -1.334 . . . . 0.0 110.184 -179.386 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -57.34 -38.09 73.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.887 -1.133 . . . . 0.0 109.936 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -83.07 -31.18 27.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.926 -1.109 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.5 mtp -102.22 35.83 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.693 -1.255 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.47 92.41 5.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.94 -1.1 . . . . 0.0 109.058 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.86 62.9 1.49 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.0 162.89 44.99 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 120.965 -1.315 . . . . 0.0 109.56 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.43 145.53 21.15 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.894 1.729 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 7.0 t80 -131.75 -60.05 0.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.139 -0.976 . . . . 0.0 109.408 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -119.51 69.07 0.82 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.087 -1.008 . . . . 0.0 109.33 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 60.55 42.59 13.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 109.584 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.03 147.88 1.07 Allowed Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 120.939 -1.1 . . . . 0.0 110.071 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.27 146.57 22.44 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.697 1.598 . . . . 0.0 110.257 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -152.75 139.41 18.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.976 -1.077 . . . . 0.0 110.118 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -99.2 148.67 23.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 108.988 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.955 HG22 HD11 ' A' ' 68' ' ' LEU . 51.2 mt -110.87 141.93 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 110.184 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -138.93 135.05 34.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 108.518 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 63.5 m-85 -48.99 143.32 5.67 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.998 -1.064 . . . . 0.0 110.56 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.29 -176.38 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.067 -1.021 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -92.67 -48.95 6.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 109.527 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.2 p -108.88 179.4 4.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.081 -1.012 . . . . 0.0 109.44 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.63 174.44 8.88 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.287 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.459 ' OG ' HG21 ' A' ' 57' ' ' ILE . 3.9 p -100.29 151.18 21.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.073 -1.017 . . . . 0.0 109.682 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.06 -1.92 54.0 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.983 . . . . 0.0 111.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 57' ' ' ILE . 1.6 pt -68.41 -28.8 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.175 -1.578 . . . . 0.0 109.794 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.174 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.7 Cg_endo . . . . . 0 CA--C 1.539 0.736 0 N-CA-C 110.436 -0.64 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -113.88 41.18 2.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.094 -1.004 . . . . 0.0 109.285 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' H ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-160 56.11 25.97 9.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.073 -1.017 . . . . 0.0 110.68 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 56' ' ' VAL . 65.4 m -169.55 139.18 2.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.741 -1.225 . . . . 0.0 109.719 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.528 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.0 pt -110.82 169.25 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.934 -1.103 . . . . 0.0 109.077 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -135.52 123.67 22.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.139 -0.975 . . . . 0.0 109.709 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.656 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.9 mt -95.85 148.0 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -148.55 170.4 18.16 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.994 -1.067 . . . . 0.0 109.832 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 61.56 54.81 2.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.096 -1.002 . . . . 0.0 109.755 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' CG2' ' A' ' 13' ' ' ILE . 23.2 mt -106.96 -173.4 2.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.954 -1.092 . . . . 0.0 109.24 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.667 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -84.51 150.51 25.21 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.878 -1.139 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -103.25 40.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.11 -0.994 . . . . 0.0 109.833 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -150.97 36.16 0.61 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.038 -1.039 . . . . 0.0 110.051 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -110.77 157.31 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.965 -1.084 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' ILE . 18.1 mtpp -89.5 -180.0 5.94 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.119 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -36.02 27.38 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.957 -1.089 . . . . 0.0 110.054 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.68 -26.19 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -76.76 -46.65 24.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.789 -1.195 . . . . 0.0 109.999 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tp -71.35 -22.86 61.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.809 -1.182 . . . . 0.0 110.698 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.0 -25.04 30.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.583 -1.323 . . . . 0.0 109.951 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.05 -31.01 55.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.66 -1.275 . . . . 0.0 110.058 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -85.84 -38.54 18.0 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.679 -1.263 . . . . 0.0 110.206 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 32' ' ' ILE . 81.4 mt -69.12 -38.09 78.7 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.889 -1.132 . . . . 0.0 110.066 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -64.64 -32.58 74.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.96 -1.087 . . . . 0.0 110.42 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.97 -66.49 0.78 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.784 -1.197 . . . . 0.0 109.954 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.761 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -46.61 -58.1 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.893 -1.129 . . . . 0.0 111.986 -178.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 22.8 m-85 -65.1 -31.3 72.43 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.0 p -62.56 -31.87 72.74 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.599 -1.313 . . . . 0.0 110.466 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -50.37 -35.79 29.66 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.515 -1.366 . . . . 0.0 110.47 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 43.7 m-85 -92.92 64.43 3.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.854 -1.154 . . . . 0.0 110.027 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.72 -139.48 14.43 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -133.88 146.75 50.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.108 -1.231 . . . . 0.0 109.484 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 34' ' ' SER . 24.9 mt -99.85 133.54 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.118 -0.989 . . . . 0.0 109.445 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 59' ' ' LYS . 65.4 mt -86.26 -42.45 13.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.99 -1.069 . . . . 0.0 109.455 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.48 160.28 34.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.139 -0.975 . . . . 0.0 110.281 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.8 mt -141.01 123.53 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.185 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.25 116.81 24.67 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.036 -1.04 . . . . 0.0 109.632 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 44' ' ' VAL . 21.3 t -113.48 22.46 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.068 -1.02 . . . . 0.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.2 t -47.48 143.91 3.34 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.815 -1.178 . . . . 0.0 110.497 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -119.53 39.23 3.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.058 . . . . 0.0 109.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.6 p -75.88 170.25 16.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.952 -1.093 . . . . 0.0 108.795 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.77 -41.27 66.99 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.811 -1.181 . . . . 0.0 109.605 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -69.78 -39.04 76.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.094 -1.004 . . . . 0.0 109.144 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.42 55.96 2.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.349 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.43 130.18 46.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.854 -1.154 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.93 38.67 86.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -161.16 153.45 20.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.948 -1.325 . . . . 0.0 109.977 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.34 -175.08 5.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.034 -1.041 . . . . 0.0 109.95 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 34.6 m-85 -135.35 149.84 49.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.086 -1.009 . . . . 0.0 109.21 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 10' ' ' THR . 21.2 t -132.34 140.77 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.936 -1.102 . . . . 0.0 109.193 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.936 HG21 HD11 ' A' ' 92' ' ' ILE . 11.3 mt -118.83 139.49 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.96 -1.088 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 61.6 m-85 -117.21 149.62 40.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.036 -1.04 . . . . 0.0 109.47 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 40' ' ' LEU . 11.1 ttmt -55.68 -40.12 71.89 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.993 -1.067 . . . . 0.0 109.321 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -120.84 161.95 20.65 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.387 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 9' ' ' HIS . 47.1 t -74.27 -36.98 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.049 -1.032 . . . . 0.0 109.805 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.4 p -60.12 -34.9 74.14 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.906 -1.121 . . . . 0.0 110.215 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -61.31 -35.71 78.12 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.79 -1.194 . . . . 0.0 110.47 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.36 -32.15 62.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.791 -1.193 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 ' HD2' ' A' ' 69' ' ' ARG . 18.1 m -62.87 -38.33 90.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.004 -1.06 . . . . 0.0 109.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -73.05 -36.59 66.94 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.94 -1.1 . . . . 0.0 109.619 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.44 -23.23 66.26 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.879 -1.138 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' O ' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -85.55 -57.89 2.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.476 -1.39 . . . . 0.0 110.226 -179.272 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.705 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -51.54 -36.9 46.98 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.913 -1.117 . . . . 0.0 110.464 -179.43 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -77.53 -36.33 52.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.066 . . . . 0.0 110.053 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 mtp -101.95 34.46 2.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.934 -1.104 . . . . 0.0 110.179 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 68' ' ' LEU . 2.8 mm-40 -76.34 96.41 3.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.845 -1.159 . . . . 0.0 108.698 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.43 70.55 1.23 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -121.34 172.41 4.94 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.102 -1.234 . . . . 0.0 109.765 -179.341 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.1 Cg_endo -77.66 136.12 15.07 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.88 1.72 . . . . 0.0 110.562 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 6.0 t80 -156.55 112.4 2.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.157 -0.964 . . . . 0.0 109.188 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 11.1 m-85 60.78 41.36 14.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.834 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.26 62.94 2.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.094 -1.004 . . . . 0.0 109.762 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -178.82 142.47 0.41 Allowed Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 120.913 -1.117 . . . . 0.0 110.015 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.17 124.68 6.73 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.597 1.531 . . . . 0.0 110.077 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -131.25 135.25 47.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -104.68 148.31 26.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.476 ' O ' HD21 ' A' ' 68' ' ' LEU . 72.6 mt -110.73 142.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -147.12 137.01 23.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.125 -0.984 . . . . 0.0 109.06 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 32.5 m-85 -48.85 155.69 0.57 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.954 -1.091 . . . . 0.0 110.25 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.8 5.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.111 -0.993 . . . . 0.0 109.142 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -86.27 -48.04 8.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.964 -1.085 . . . . 0.0 109.343 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -105.93 179.61 4.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.017 -1.052 . . . . 0.0 109.5 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.39 178.48 7.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.005 -1.06 . . . . 0.0 109.288 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 p -94.44 156.48 16.46 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.081 -1.012 . . . . 0.0 109.559 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.71 -20.69 21.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.041 -1.037 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -59.71 -23.16 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.523 -1.36 . . . . 0.0 109.514 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.668 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.95 0 O-C-N 120.567 -1.333 . . . . 0.0 107.946 178.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.665 0 N-CA-C 110.397 -0.655 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -117.68 175.95 5.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.109 -0.994 . . . . 0.0 109.491 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 4.3 t60 -86.18 -41.91 14.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.018 -1.051 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -101.15 150.49 22.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.712 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -111.88 147.29 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.0 . . . . 0.0 109.283 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -118.86 126.5 51.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.225 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.8 mt -98.88 150.79 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.068 -1.02 . . . . 0.0 108.952 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -141.92 176.22 9.11 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.923 -1.111 . . . . 0.0 109.623 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 42.75 17.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.139 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' CA ' ' A' ' 53' ' ' GLN . 67.3 mt -92.4 178.95 5.67 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.159 -0.963 . . . . 0.0 109.567 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.519 ' HB3' HD11 ' A' ' 20' ' ' ILE . 24.0 t30 -73.34 150.54 41.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.037 -1.039 . . . . 0.0 109.129 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -102.07 38.03 1.74 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 110.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -151.43 35.64 0.57 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.913 -1.117 . . . . 0.0 110.183 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 25' ' ' LEU . 9.6 mm -101.53 151.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.886 -1.134 . . . . 0.0 109.755 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -79.77 -179.58 7.0 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -88.05 -40.13 14.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.987 -1.071 . . . . 0.0 109.153 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -27.19 59.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.095 -1.003 . . . . 0.0 108.589 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.7 tp10 -74.24 -48.07 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.915 -1.115 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 20' ' ' ILE . 10.2 tp -64.48 -34.05 77.32 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.96 -1.088 . . . . 0.0 110.689 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.15 -29.1 62.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.849 -1.157 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -30.98 61.91 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.639 -1.288 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 m -77.37 -38.84 49.22 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.722 -1.236 . . . . 0.0 110.174 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.665 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.9 mt -67.6 -40.39 84.74 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.971 -1.081 . . . . 0.0 109.754 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HA ' HD11 ' A' ' 42' ' ' ILE . 1.7 t-80 -61.76 -29.48 70.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.07 -1.018 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.19 -70.13 0.56 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.678 -1.264 . . . . 0.0 110.011 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.56 -58.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.987 . . . . 0.0 111.95 -178.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 47.6 m-85 -62.29 -34.47 76.64 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.823 -1.173 . . . . 0.0 110.804 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.477 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -57.15 -33.84 67.81 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.778 -1.202 . . . . 0.0 110.371 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -46.71 -43.16 17.63 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.761 -1.212 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -99.42 74.92 1.94 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.748 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.32 160.61 32.46 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -84.4 146.8 27.48 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.034 -1.274 . . . . 0.0 109.309 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 34' ' ' SER . 36.1 mt -97.32 147.58 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.03 -1.044 . . . . 0.0 109.633 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 59' ' ' LYS . 4.9 mp -91.71 -39.82 11.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.112 -0.992 . . . . 0.0 109.642 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.67 151.57 2.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.056 -1.027 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 55' ' ' PHE . 60.7 mt -123.31 131.63 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.067 -1.021 . . . . 0.0 109.392 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.72 125.53 50.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.003 -1.061 . . . . 0.0 109.626 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 136.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -124.17 139.64 53.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.985 -1.072 . . . . 0.0 109.968 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -109.8 40.18 1.96 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 p -97.63 165.71 11.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.011 -1.056 . . . . 0.0 109.124 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.79 -39.76 65.73 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.836 -1.165 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -66.07 -40.45 90.88 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.981 -1.075 . . . . 0.0 109.484 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.4 mmt -100.87 62.1 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -107.21 56.81 0.64 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.094 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.18 57.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.775 ' CA ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -177.83 178.77 0.94 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.04 -1.271 . . . . 0.0 110.497 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -163.68 179.21 7.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.775 -1.203 . . . . 0.0 110.598 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' ILE . 58.6 m-85 -137.22 138.29 39.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.015 -1.053 . . . . 0.0 109.216 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.46 109.93 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.978 -1.076 . . . . 0.0 109.623 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD11 ' A' ' 93' ' ' ILE . 38.7 mt -91.35 116.46 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.989 -1.069 . . . . 0.0 108.872 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 3.2 m-85 -88.22 148.14 24.51 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.443 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 40' ' ' LEU . 8.3 ttmm -49.5 -35.57 20.33 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -134.78 164.13 28.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.556 179.678 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.2 t -67.31 -37.66 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.078 -1.013 . . . . 0.0 110.175 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 60' ' ' GLU . 59.4 p -58.23 -34.47 70.45 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.961 -1.087 . . . . 0.0 110.488 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.5 m -64.46 -36.91 85.71 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.767 -1.208 . . . . 0.0 110.376 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -73.0 -27.36 61.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.857 -1.152 . . . . 0.0 109.605 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.486 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.6 m -68.18 -39.2 82.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.874 -1.141 . . . . 0.0 109.44 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -68.13 -41.39 81.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.097 . . . . 0.0 109.094 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -56.34 -38.43 71.34 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.068 -1.02 . . . . 0.0 109.556 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.12 -35.99 77.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.019 -1.051 . . . . 0.0 109.765 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -94.24 56.89 2.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -160.11 -56.54 0.06 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.055 -1.028 . . . . 0.0 109.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.445 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 93.3 mtp -104.72 36.52 2.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.21 105.38 0.33 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.955 -1.091 . . . . 0.0 108.836 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.06 1.47 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.74 -1.744 . . . . 0.0 108.74 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.7 m-85 -116.82 167.05 11.37 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.117 -1.225 . . . . 0.0 109.961 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.08 126.95 8.16 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.962 1.774 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -138.29 112.01 8.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 108.889 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.62 ' CD2' HD12 ' A' ' 20' ' ' ILE . 70.4 m-85 71.36 -83.94 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 122.114 -0.366 . . . . 0.0 110.394 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -154.88 47.28 0.54 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.581 -1.325 . . . . 0.0 110.245 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -179.44 156.13 0.8 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 120.977 -1.077 . . . . 0.0 110.15 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.51 141.87 22.87 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.762 1.642 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 16' ' ' LEU . 1.4 ptt? -140.68 130.89 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 0.0 110.218 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -100.96 150.01 23.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.207 -0.933 . . . . 0.0 108.696 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.85 136.82 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.069 -1.02 . . . . 0.0 110.557 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -130.19 140.71 50.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 2.6 m-85 -50.92 151.15 2.64 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.882 -1.136 . . . . 0.0 109.891 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 178.2 2.73 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.16 -44.33 8.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 109.156 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.9 p -119.34 179.99 4.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.117 -0.989 . . . . 0.0 109.6 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -94.67 -176.05 3.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.52 ' OG ' HD13 ' A' ' 57' ' ' ILE . 28.3 t -103.43 166.66 10.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.067 -1.021 . . . . 0.0 109.612 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -96.49 -24.24 16.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.037 -1.039 . . . . 0.0 110.956 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -57.7 -25.65 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.46 -1.4 . . . . 0.0 109.341 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm . . . . . 0 N--CA 1.502 2.138 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.0 Cg_endo . . . . . 0 CA--C 1.535 0.559 0 N-CA-C 110.507 -0.613 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.81 156.53 17.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.145 -0.972 . . . . 0.0 109.406 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -55.52 -38.3 69.06 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.04 -1.037 . . . . 0.0 109.792 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.4 m -106.78 140.94 38.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.089 . . . . 0.0 109.826 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.666 HG23 ' HB1' ' A' ' 64' ' ' ALA . 11.6 pt -107.69 146.05 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.134 -0.979 . . . . 0.0 109.307 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 42.7 t80 -104.7 124.52 49.53 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.274 -0.891 . . . . 0.0 109.43 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.6 mt -101.72 153.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.017 -1.052 . . . . 0.0 109.093 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -141.49 173.97 10.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.946 -1.097 . . . . 0.0 109.581 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 60.24 58.53 2.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.056 -1.028 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' ASN . 62.0 mt -114.12 47.72 1.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.996 -1.065 . . . . 0.0 109.652 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.607 ' HB3' HD11 ' A' ' 20' ' ' ILE . 5.8 t-20 55.87 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.188 -0.945 . . . . 0.0 110.87 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.54 39.9 3.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.075 -1.015 . . . . 0.0 109.953 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -147.65 34.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.993 -1.067 . . . . 0.0 110.107 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 25' ' ' LEU . 3.9 mt -115.28 156.72 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.905 -1.122 . . . . 0.0 110.095 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 20' ' ' ILE . 21.9 mttm -91.09 -179.16 5.37 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.191 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -79.41 -38.7 34.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.049 -1.032 . . . . 0.0 109.699 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.43 -25.67 65.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.045 -1.035 . . . . 0.0 108.878 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 20' ' ' ILE . 5.4 mm-40 -73.17 -54.81 7.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.867 -1.145 . . . . 0.0 109.776 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 20' ' ' ILE . 94.0 mt -62.7 -20.53 64.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.937 -1.102 . . . . 0.0 111.253 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -84.93 -27.85 26.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.457 -1.402 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.87 -29.67 50.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.7 -1.25 . . . . 0.0 110.265 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -88.71 -36.04 16.4 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.653 -1.279 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 25' ' ' LEU . 22.9 mt -72.09 -41.44 67.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.858 -1.151 . . . . 0.0 109.625 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CE1' ' HB ' ' A' ' 39' ' ' ILE . 20.7 t60 -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.36 -67.3 0.7 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.783 -1.198 . . . . 0.0 109.976 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -43.96 -59.66 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 112.103 -178.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HD1' ' HB1' ' A' ' 67' ' ' ALA . 29.8 m-85 -61.78 -37.52 84.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.716 -1.24 . . . . 0.0 110.277 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.0 t -51.88 -35.69 46.06 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.896 -1.127 . . . . 0.0 110.471 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -53.79 -49.8 67.51 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.751 -1.218 . . . . 0.0 109.714 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 97.6 m-85 -57.43 -58.73 6.97 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.008 -1.058 . . . . 0.0 109.513 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.35 -158.48 8.25 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -89.8 149.81 22.53 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.083 -1.245 . . . . 0.0 109.425 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 42.0 mt -114.07 117.16 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 109.608 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 59' ' ' LYS . 6.8 mp -62.28 -68.75 0.3 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.051 -1.031 . . . . 0.0 109.348 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -148.25 162.21 39.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 109.747 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 56' ' ' VAL . 39.7 mt -129.87 133.61 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.961 -1.087 . . . . 0.0 109.393 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.4 128.69 50.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 109.749 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.82 160.27 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.995 -1.065 . . . . 0.0 108.786 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 147.46 28.07 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.899 -1.126 . . . . 0.0 109.972 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -117.88 37.23 4.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 0.0 109.739 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.4 p -96.95 173.81 7.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.206 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -41.21 69.52 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 109.538 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -66.2 -39.11 89.4 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.997 -1.065 . . . . 0.0 109.74 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mtp -107.05 57.92 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.944 -1.097 . . . . 0.0 109.41 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.02 144.79 30.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.043 -1.036 . . . . 0.0 109.646 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.87 38.46 84.23 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 3.7 pt20 -159.64 150.19 19.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.975 -1.309 . . . . 0.0 109.824 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.65 -172.66 4.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.052 -1.03 . . . . 0.0 110.377 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.6 m-85 -142.59 150.17 39.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.137 -0.977 . . . . 0.0 109.045 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' THR . 14.5 p -138.63 137.61 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.018 -1.051 . . . . 0.0 109.739 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.56 ' CG2' HD11 ' A' ' 93' ' ' ILE . 4.7 mp -109.37 122.41 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 68.7 m-85 -93.69 155.49 17.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 109.253 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 40' ' ' LEU . 30.1 ttmt -52.21 -39.57 60.37 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.97 -1.081 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.5 174.63 8.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.105 -0.997 . . . . 0.0 109.147 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.54 -37.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.966 -1.084 . . . . 0.0 109.776 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -60.48 -32.16 71.15 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.96 -1.087 . . . . 0.0 110.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -34.32 78.15 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.779 -1.201 . . . . 0.0 110.604 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.666 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -73.55 -35.89 65.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.697 -1.252 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.644 HG23 ' OH ' ' A' ' 85' ' ' TYR . 32.4 m -61.03 -37.49 82.78 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.091 -1.005 . . . . 0.0 109.857 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -71.48 -36.61 71.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.933 -1.104 . . . . 0.0 109.509 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.562 ' HB1' ' HD1' ' A' ' 33' ' ' PHE . . . -74.7 -12.47 60.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.806 -1.184 . . . . 0.0 111.381 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.684 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.57 -39.96 10.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.331 -1.48 . . . . 0.0 110.463 -179.285 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 65' ' ' THR . 10.6 mtp85 -75.63 -45.58 36.47 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.895 -1.128 . . . . 0.0 109.485 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.44 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 56.6 m -65.11 -36.04 83.02 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.117 -0.989 . . . . 0.0 109.694 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.2 mmm -102.87 35.66 2.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.909 -1.12 . . . . 0.0 109.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.29 101.76 4.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.901 -1.125 . . . . 0.0 108.767 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.85 70.56 1.26 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.9 m-85 -116.35 168.52 8.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.133 -1.216 . . . . 0.0 110.017 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.49 109.38 2.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.089 1.859 . . . . 0.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.73 120.76 24.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.045 -1.034 . . . . 0.0 108.244 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.714 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 26.0 m-85 59.86 40.08 19.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.73 67.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.01 -1.057 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 178.84 146.76 0.37 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 120.913 -1.117 . . . . 0.0 109.998 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.15 113.34 3.38 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.538 1.492 . . . . 0.0 109.887 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.48 126.5 46.84 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.999 -1.063 . . . . 0.0 110.295 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -95.76 145.48 25.29 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.037 -1.039 . . . . 0.0 108.801 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.5 mt -105.0 137.01 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.031 -1.043 . . . . 0.0 110.343 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.54 135.29 38.35 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.644 ' OH ' HG23 ' A' ' 65' ' ' THR . 34.6 m-85 -45.02 162.78 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.194 -0.941 . . . . 0.0 111.225 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.66 -170.69 3.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.23 -0.919 . . . . 0.0 109.214 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -79.9 -51.36 9.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.007 -1.058 . . . . 0.0 109.002 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -132.23 -179.69 5.58 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.178 -0.951 . . . . 0.0 109.789 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.37 -175.96 0.54 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.179 -0.951 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -94.0 156.83 16.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.079 . . . . 0.0 109.394 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -29.86 51.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.04 -1.037 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 93' ' ' ILE . 33.6 pt -58.97 -24.99 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.703 -1.248 . . . . 0.0 109.163 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.499 1.978 0 O-C-N 120.65 -1.282 . . . . 0.0 107.6 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.537 0.671 0 N-CA-C 110.502 -0.615 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.852 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -141.45 -178.59 5.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.058 -1.026 . . . . 0.0 109.118 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.595 ' ND1' HG21 ' A' ' 93' ' ' ILE . 1.4 t-160 -101.37 33.29 2.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.036 -1.04 . . . . 0.0 110.172 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.915 HG23 HD13 ' A' ' 57' ' ' ILE . 78.7 m -167.92 123.8 1.05 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.813 -1.179 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.765 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.2 pp -88.8 163.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.949 -1.095 . . . . 0.0 109.088 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 16.2 t80 -132.44 129.17 38.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.034 -1.041 . . . . 0.0 109.568 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 16' ' ' LEU . 5.1 mt -104.37 153.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -140.63 169.33 17.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.054 -1.028 . . . . 0.0 109.471 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.7 57.38 4.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 109.498 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 13' ' ' ILE . 18.1 mt -100.42 45.7 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.562 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LEU . 6.8 t30 56.7 160.92 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.089 -1.007 . . . . 0.0 110.746 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.99 36.8 3.35 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.962 -1.086 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -151.21 35.0 0.58 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.889 -1.132 . . . . 0.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.6 mm -101.6 152.47 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.851 -1.156 . . . . 0.0 109.822 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.44 -177.05 6.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -86.48 -39.34 16.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 109.298 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.51 -25.85 54.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.182 -0.949 . . . . 0.0 108.861 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -76.02 -45.09 36.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.92 -1.112 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.805 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.58 -33.26 74.65 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.896 -1.128 . . . . 0.0 110.371 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -31.48 66.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.797 -1.189 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.76 -34.2 66.84 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.67 -1.269 . . . . 0.0 110.241 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 14.6 m -75.1 -33.37 61.62 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.784 -1.198 . . . . 0.0 110.494 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 13' ' ' ILE . 77.8 mt -75.03 -30.84 61.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.779 -1.201 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.6 ' CE1' ' HB ' ' A' ' 39' ' ' ILE . 11.2 t60 -83.28 -23.5 32.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.781 -1.2 . . . . 0.0 111.093 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -33.18 21.96 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.546 -1.346 . . . . 0.0 110.506 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.635 HD12 ' HE1' ' A' ' 76' ' ' PHE . 14.7 mt -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 O-C-N 120.826 -1.171 . . . . 0.0 110.218 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 61.9 m-85 -90.39 -29.26 18.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.804 -1.185 . . . . 0.0 111.504 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.571 -1.331 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -51.8 -34.66 40.98 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.584 -1.322 . . . . 0.0 110.641 -179.257 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE1' ' ND2' ' A' ' 66' ' ' ASN . 14.3 m-85 -63.65 -52.24 61.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.812 -1.18 . . . . 0.0 109.104 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.72 -107.23 0.47 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -145.8 129.87 17.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.115 -1.227 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.6 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 67.3 mt -94.99 143.93 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.065 -1.022 . . . . 0.0 109.155 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 59' ' ' LYS . 92.5 mt -94.74 -38.4 10.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.079 -1.013 . . . . 0.0 110.303 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -166.47 142.93 4.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.891 -1.131 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.9 mt -120.46 112.84 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.982 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.23 114.44 26.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.951 -1.093 . . . . 0.0 110.033 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 t -110.59 160.62 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.133 -0.98 . . . . 0.0 108.477 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.9 t -154.81 165.43 36.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.801 -1.187 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -133.99 38.77 3.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.674 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.4 p -89.66 164.66 14.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.968 -1.082 . . . . 0.0 108.73 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.76 -53.06 62.32 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.843 -1.161 . . . . 0.0 109.118 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -59.86 -40.19 87.75 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.089 -1.007 . . . . 0.0 109.406 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 mtp -105.25 63.67 0.7 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.029 -1.045 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.23 138.15 46.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.98 -1.075 . . . . 0.0 109.521 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.36 38.23 96.08 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 10.3 pt20 -153.16 158.32 41.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.837 -1.39 . . . . 0.0 109.637 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.52 173.97 14.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.0 -1.062 . . . . 0.0 110.154 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.16 121.46 26.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 60.7 t -108.4 131.27 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.875 -1.141 . . . . 0.0 108.845 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.915 HD13 HG23 ' A' ' 10' ' ' THR . 17.9 mm -105.5 140.48 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.078 -1.014 . . . . 0.0 109.31 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.55 143.93 44.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.016 -1.053 . . . . 0.0 109.35 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 40' ' ' LEU . 20.9 ttmt -52.47 -39.97 61.78 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.955 -1.091 . . . . 0.0 109.684 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -125.26 148.35 48.71 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.162 -0.961 . . . . 0.0 109.266 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.6 t -60.6 -34.34 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.092 -1.005 . . . . 0.0 110.156 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 p -60.79 -38.3 84.84 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.854 -1.154 . . . . 0.0 109.805 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.24 -34.56 72.37 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.938 -1.101 . . . . 0.0 110.504 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.765 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -72.86 -34.69 66.91 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.76 -1.212 . . . . 0.0 109.084 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.493 HG23 ' OH ' ' A' ' 85' ' ' TYR . 8.3 m -59.31 -38.85 81.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.356 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' ND2' ' CE1' ' A' ' 36' ' ' PHE . 2.1 t30 -69.93 -37.5 75.93 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 33' ' ' PHE . . . -79.63 -3.59 47.83 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.909 -1.119 . . . . 0.0 111.302 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.927 HD12 HG22 ' A' ' 83' ' ' ILE . 3.3 tp -96.58 -44.47 7.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.319 -1.488 . . . . 0.0 109.896 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -81.56 -42.47 20.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 109.461 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 58.4 m -63.94 -31.5 72.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.436 ' HB2' HD12 ' A' ' 83' ' ' ILE . 80.2 mmm -102.88 37.41 1.96 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.701 -1.249 . . . . 0.0 109.703 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -77.93 108.14 10.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.079 . . . . 0.0 109.311 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.59 58.8 6.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -102.44 170.96 5.71 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.256 . . . . 0.0 109.841 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.6 Cg_endo -80.02 137.12 12.11 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.014 1.81 . . . . 0.0 110.687 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.635 ' HE1' HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -154.2 106.92 2.84 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.072 -1.018 . . . . 0.0 109.344 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.927 ' CD2' HD12 ' A' ' 20' ' ' ILE . 90.6 m-85 58.72 44.85 16.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.179 -0.951 . . . . 0.0 109.704 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.41 68.59 0.83 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.129 -0.982 . . . . 0.0 109.817 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.2 151.5 0.44 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.959 -1.088 . . . . 0.0 110.057 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.07 134.99 13.48 Favored 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.76 1.64 . . . . 0.0 109.949 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.18 121.31 23.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 0.0 110.403 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -100.3 144.75 28.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.119 -0.988 . . . . 0.0 108.422 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.927 HG22 HD12 ' A' ' 68' ' ' LEU . 56.5 mt -113.0 134.2 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.968 -1.082 . . . . 0.0 110.629 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -131.0 141.25 50.23 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.493 ' OH ' HG23 ' A' ' 65' ' ' THR . 8.1 m-85 -52.09 168.88 0.08 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.729 -1.232 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.67 174.34 7.55 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.005 -1.06 . . . . 0.0 109.74 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -95.5 -44.36 7.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.036 -1.04 . . . . 0.0 109.517 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.0 p -99.09 178.66 4.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.045 -1.035 . . . . 0.0 109.657 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -100.75 -179.37 4.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.05 -1.031 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 157.9 18.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.074 -1.016 . . . . 0.0 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -93.38 -26.79 17.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.012 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.735 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.4 pp -56.98 -27.3 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.579 -1.326 . . . . 0.0 109.46 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.735 HD13 ' CD1' ' A' ' 92' ' ' ILE . 1.1 mm . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.0 Cg_endo . . . . . 0 CA--C 1.536 0.621 0 N-CA-C 110.258 -0.708 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.861 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 t30 -102.11 -172.24 2.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 109.648 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.6 t60 -85.65 -37.9 18.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.098 -1.001 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' ILE . 99.1 m -106.92 156.18 18.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.071 . . . . 0.0 110.142 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.463 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -116.23 161.24 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 25.5 t80 -132.54 137.75 47.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.033 -1.042 . . . . 0.0 109.694 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.26 138.41 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.021 -1.05 . . . . 0.0 109.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -135.17 -171.03 2.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.044 -1.035 . . . . 0.0 109.266 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 59.65 47.07 11.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.903 -1.123 . . . . 0.0 109.425 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -100.86 -177.54 3.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.987 -1.071 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB2' HD11 ' A' ' 20' ' ' ILE . 10.4 m-20 -77.03 153.44 34.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.88 -1.138 . . . . 0.0 109.447 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -103.83 39.81 1.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 109.804 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -151.81 37.13 0.57 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.963 -1.086 . . . . 0.0 109.857 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -111.79 157.14 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.025 -1.047 . . . . 0.0 109.883 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 20' ' ' ILE . 57.6 mttt -91.35 179.59 5.65 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.142 -1.023 . . . . 0.0 108.936 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -37.09 26.89 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.964 -1.085 . . . . 0.0 109.702 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.75 -18.07 60.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.072 -1.018 . . . . 0.0 109.697 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -85.89 -44.44 12.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.587 -1.321 . . . . 0.0 110.271 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.705 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.7 tp -70.4 -33.15 71.05 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.855 -1.153 . . . . 0.0 110.217 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -33.8 62.55 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.843 -1.161 . . . . 0.0 109.674 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -68.11 -34.32 76.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.784 -1.197 . . . . 0.0 110.194 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -74.47 -40.04 62.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.726 -1.234 . . . . 0.0 109.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD23 ' HE2' ' A' ' 33' ' ' PHE . 9.9 mt -64.72 -30.23 71.23 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.985 -1.072 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -77.87 -24.97 48.36 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.692 -1.255 . . . . 0.0 111.132 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.09 -37.65 28.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.598 -1.314 . . . . 0.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.03 -55.53 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.901 -1.124 . . . . 0.0 110.921 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 67.1 m-85 -60.19 -31.07 69.79 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.768 -1.207 . . . . 0.0 110.894 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -70.9 -30.25 66.54 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.657 -1.277 . . . . 0.0 111.303 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -50.13 -30.0 10.29 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.593 -1.317 . . . . 0.0 111.144 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -79.1 -53.02 7.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.611 -1.306 . . . . 0.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.35 -146.77 4.41 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -106.62 135.65 47.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.039 -1.271 . . . . 0.0 109.436 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.32 128.24 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.975 -1.078 . . . . 0.0 109.225 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -73.07 -40.91 64.65 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.051 -1.03 . . . . 0.0 109.471 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.37 138.63 0.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.012 -1.055 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 56' ' ' VAL . 57.3 mt -112.01 143.49 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.063 -1.023 . . . . 0.0 109.048 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.17 141.67 51.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.961 -1.087 . . . . 0.0 110.027 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.87 128.24 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 108.985 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.25 154.94 19.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.969 -1.082 . . . . 0.0 109.841 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.49 38.39 2.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.041 -1.037 . . . . 0.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -100.5 -176.51 3.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.016 -1.052 . . . . 0.0 109.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.99 -53.25 27.38 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.929 -1.107 . . . . 0.0 109.856 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -67.11 -37.97 84.84 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -105.46 58.59 0.67 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.938 -1.101 . . . . 0.0 109.462 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.13 139.73 41.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 109.464 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.01 51.69 51.14 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.9 pt20 -168.3 158.1 9.67 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.046 -1.267 . . . . 0.0 110.245 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.07 150.72 25.98 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.931 -1.106 . . . . 0.0 110.179 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 49.6 m-85 -108.13 154.23 22.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.086 -1.009 . . . . 0.0 109.103 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 HG12 ' A' ' 42' ' ' ILE . 21.9 t -129.77 124.18 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.121 . . . . 0.0 109.643 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 92' ' ' ILE . 60.6 mt -97.81 117.13 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.285 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 2.3 m-85 -93.68 146.2 24.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.054 -1.029 . . . . 0.0 109.332 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -54.7 -40.43 69.17 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.4 155.56 40.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.033 -1.042 . . . . 0.0 109.223 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 8' ' ' ASN . 58.1 t -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.022 -1.049 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 p -59.97 -37.71 80.39 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.994 -1.066 . . . . 0.0 110.159 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.429 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.886 -1.134 . . . . 0.0 110.377 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.71 -30.01 56.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.764 -1.21 . . . . 0.0 109.872 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -62.7 -37.48 86.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 109.514 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -77.29 -36.39 54.27 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.934 -1.104 . . . . 0.0 109.576 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -75.08 -8.72 57.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.887 -1.133 . . . . 0.0 111.484 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.531 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.74 -47.77 4.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.349 -1.469 . . . . 0.0 110.189 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -70.49 -41.68 72.39 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.028 -1.045 . . . . 0.0 109.503 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 -37.6 87.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.082 -1.011 . . . . 0.0 109.484 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.8 mmm -103.23 35.57 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.909 -1.119 . . . . 0.0 109.868 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -70.35 113.5 7.56 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 108.667 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.48 70.12 1.11 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.585 -1.806 . . . . 0.0 108.585 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -118.94 172.31 4.43 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.087 -1.243 . . . . 0.0 109.865 -179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.7 Cg_endo -77.44 140.01 18.87 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.91 1.74 . . . . 0.0 110.474 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.581 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.6 t80 -159.36 112.83 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.25 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.705 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 13.9 m-85 60.99 41.92 13.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.0 t70 57.33 63.99 1.72 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.163 -0.961 . . . . 0.0 109.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 179.48 144.1 0.35 Allowed Pre-proline 0 N--CA 1.499 2.025 0 O-C-N 120.921 -1.112 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 126.4 7.69 Favored 'Trans proline' 0 C--N 1.323 -0.765 0 C-N-CA 121.642 1.562 . . . . 0.0 110.018 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.37 135.28 40.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.994 -1.066 . . . . 0.0 110.124 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -104.85 146.72 28.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 108.639 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.4 mt -107.48 136.74 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.006 -1.059 . . . . 0.0 110.284 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.24 133.57 41.01 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.527 ' CE1' HD13 ' A' ' 68' ' ' LEU . 49.5 m-85 -51.43 133.96 29.11 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.805 -1.184 . . . . 0.0 109.816 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -176.91 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.021 -1.049 . . . . 0.0 109.475 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -92.3 -44.17 8.88 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.96 -1.088 . . . . 0.0 109.332 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.4 p -104.32 179.65 4.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.032 -1.042 . . . . 0.0 109.459 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -93.49 177.59 5.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.07 -1.019 . . . . 0.0 109.463 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.453 ' OG ' HG12 ' A' ' 93' ' ' ILE . 1.7 p -72.64 154.53 40.7 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.097 -1.002 . . . . 0.0 109.419 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.04 -30.74 15.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.03 -1.044 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.714 HD13 HD23 ' A' ' 40' ' ' LEU . 2.0 pp -58.24 -24.59 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.669 -1.27 . . . . 0.0 109.604 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.631 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.137 0 O-C-N 120.472 -1.393 . . . . 0.0 107.316 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.678 0 N-CA-C 110.506 -0.613 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.588 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.1 m120 -132.73 -177.02 4.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.061 -1.025 . . . . 0.0 109.405 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -102.49 33.98 2.95 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.9 m -167.95 118.76 0.82 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.934 -1.104 . . . . 0.0 110.024 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.9 pt -83.08 169.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.923 -1.111 . . . . 0.0 109.155 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -137.75 143.62 41.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.0 109.251 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -133.07 147.01 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -143.13 -175.24 4.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.021 -1.049 . . . . 0.0 109.471 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.36 50.28 4.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.934 -1.104 . . . . 0.0 109.372 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 -178.34 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.025 -1.047 . . . . 0.0 109.317 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -92.07 149.49 21.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.582 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.07 37.88 1.77 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -111.43 -55.36 2.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.919 -1.113 . . . . 0.0 109.368 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.014 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -56.1 155.64 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.132 -0.98 . . . . 0.0 108.854 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.72 -166.58 1.51 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 110.137 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -85.38 -35.92 21.05 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.959 -1.088 . . . . 0.0 110.602 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.03 -38.83 86.62 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.948 -1.095 . . . . 0.0 108.56 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 mm-40 -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.981 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.26 -36.84 43.97 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.113 -0.992 . . . . 0.0 110.499 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -68.57 -42.36 78.41 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.888 -1.132 . . . . 0.0 109.333 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -57.06 -33.25 67.05 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.023 -1.048 . . . . 0.0 110.59 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 74.8 m -75.4 -48.73 21.56 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.718 -1.239 . . . . 0.0 110.434 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 54' ' ' ALA . 52.4 mt -53.38 -33.15 52.62 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.923 -1.111 . . . . 0.0 110.752 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.785 ' CD2' HD12 ' A' ' 39' ' ' ILE . 14.3 t-80 -76.44 -41.38 47.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.776 -1.203 . . . . 0.0 109.929 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.21 68.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.115 -0.991 . . . . 0.0 110.964 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.652 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -83.63 -54.82 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 120.654 -1.278 . . . . 0.0 111.385 -178.836 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.903 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 18.8 m-85 -95.56 48.17 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.742 -1.224 . . . . 0.0 110.871 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -116.46 -57.37 2.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 109.566 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.52 -33.77 15.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.995 -1.065 . . . . 0.0 110.658 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 8.5 m-85 -56.32 -63.54 1.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.76 -1.212 . . . . 0.0 109.382 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.83 -120.73 1.57 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -130.16 143.35 50.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.013 -1.286 . . . . 0.0 109.487 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.785 HD12 ' CD2' ' A' ' 30' ' ' HIS . 66.2 mt -108.2 112.56 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.046 -1.034 . . . . 0.0 109.55 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 92' ' ' ILE . 1.7 mp -58.43 -41.6 85.4 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.013 -1.055 . . . . 0.0 109.184 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 165.31 1.51 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.073 -1.017 . . . . 0.0 110.635 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 29' ' ' LEU . 51.6 mt -132.25 127.46 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 108.89 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 43' ' ' LEU . 6.8 mp -103.14 141.4 35.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.989 -1.07 . . . . 0.0 110.119 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.0 m -138.99 122.49 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.971 . . . . 0.0 108.839 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.89 162.3 14.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.948 -1.095 . . . . 0.0 109.968 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.02 34.59 5.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.086 -1.008 . . . . 0.0 110.088 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 p -100.68 170.14 8.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.887 -1.133 . . . . 0.0 108.947 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.82 -59.37 4.71 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.814 -1.179 . . . . 0.0 110.042 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -56.13 -36.76 68.59 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.953 -1.092 . . . . 0.0 109.866 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -99.78 47.25 0.95 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.796 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -110.57 131.2 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.888 -1.132 . . . . 0.0 109.344 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.23 40.87 94.96 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -170.86 147.47 2.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.299 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -141.95 178.73 7.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.022 -1.049 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 14.8 m-85 -128.06 139.24 52.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.063 -1.023 . . . . 0.0 109.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 t -123.28 142.7 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.987 -1.07 . . . . 0.0 109.52 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' ILE . 29.4 mt -121.88 147.98 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.037 . . . . 0.0 109.211 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.696 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 95.5 m-85 -123.38 152.86 41.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HA ' HD13 ' A' ' 40' ' ' LEU . 9.2 mtpt -50.21 -39.43 44.27 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.001 -1.062 . . . . 0.0 109.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -125.39 175.79 7.24 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.058 -1.026 . . . . 0.0 109.48 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 8' ' ' ASN . 41.1 t -81.74 -37.42 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.1 -1.0 . . . . 0.0 109.801 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -59.06 -30.57 68.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.011 -1.055 . . . . 0.0 110.599 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -67.83 -36.23 80.01 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.653 -1.28 . . . . 0.0 110.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -73.29 -28.33 62.05 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.841 -1.162 . . . . 0.0 109.637 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' OH ' ' A' ' 85' ' ' TYR . 58.0 m -70.45 -36.98 74.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.057 . . . . 0.0 109.711 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.9 -39.18 76.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.81 -1.181 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.903 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -63.6 -36.0 82.37 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.993 -1.067 . . . . 0.0 110.033 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.658 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -67.85 -41.05 83.51 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.856 -1.152 . . . . 0.0 110.0 -179.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -70.95 -22.08 62.26 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.954 -1.091 . . . . 0.0 111.296 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 p -78.04 -38.14 45.23 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.544 -1.347 . . . . 0.0 110.014 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mmm -110.33 38.7 2.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.49 103.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.92 -1.113 . . . . 0.0 108.903 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.6 64.78 3.81 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -128.48 165.69 29.53 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.055 -1.262 . . . . 0.0 109.441 -179.655 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.0 Cg_endo -78.05 139.64 17.33 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.833 1.689 . . . . 0.0 110.319 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 32' ' ' ILE . 23.3 t80 -134.03 -60.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 109.455 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 1.014 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -112.53 66.76 0.65 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.06 42.34 19.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.022 -1.049 . . . . 0.0 109.77 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.37 156.59 0.83 Allowed Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 121.013 -1.055 . . . . 0.0 110.268 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.42 146.08 24.31 Favored 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.848 1.699 . . . . 0.0 110.128 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.14 138.79 16.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.33 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -102.36 146.32 28.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 108.863 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.658 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.0 mt -107.48 138.25 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.03 -1.044 . . . . 0.0 110.142 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.74 141.64 38.87 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' OH ' HG23 ' A' ' 65' ' ' THR . 29.1 m-85 -51.69 176.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.797 -1.189 . . . . 0.0 109.926 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.19 170.54 9.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.979 -1.076 . . . . 0.0 109.49 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -92.08 -41.24 10.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 109.447 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 p -96.46 174.46 6.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.097 -1.002 . . . . 0.0 109.41 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -99.11 147.42 25.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.081 -1.012 . . . . 0.0 109.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -58.47 143.31 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.035 -1.04 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.76 -36.01 43.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.08 -1.013 . . . . 0.0 109.782 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 40' ' ' LEU . 1.8 pp -57.54 -24.79 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.854 -1.154 . . . . 0.0 109.575 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.027 0 O-C-N 120.411 -1.43 . . . . 0.0 107.253 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.666 0 N-CA-C 110.494 -0.618 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 61' ' ' VAL . 24.6 m120 -100.64 -177.7 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.02 -1.05 . . . . 0.0 109.396 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -99.96 25.94 6.86 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.01 -1.056 . . . . 0.0 110.74 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 56' ' ' VAL . 97.3 m -169.7 117.43 0.59 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.671 -1.268 . . . . 0.0 110.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 33' ' ' PHE . 19.5 pt -72.02 172.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.913 -1.117 . . . . 0.0 108.348 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 69.2 t80 -147.54 143.55 27.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.964 -1.085 . . . . 0.0 109.656 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.43 132.17 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 14.1 p-10 -129.18 -178.48 4.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t30 58.97 50.91 7.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.993 -1.067 . . . . 0.0 109.118 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 53' ' ' GLN . 1.5 mp -88.81 -177.23 5.46 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.023 -1.048 . . . . 0.0 109.492 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.79 149.01 24.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.084 -1.01 . . . . 0.0 109.25 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.06 56.07 2.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.008 . . . . 0.0 109.549 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -153.52 38.79 0.49 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.976 -1.077 . . . . 0.0 109.652 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.849 HD12 ' CD2' ' A' ' 77' ' ' TYR . 2.8 mm -105.47 154.66 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.078 -1.014 . . . . 0.0 108.655 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 ttmm -97.02 21.84 9.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.057 -1.027 . . . . 0.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 24.6 mtpt 75.57 -75.11 0.07 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.022 0.828 . . . . 0.0 112.258 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.3 -34.46 72.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.411 -1.431 . . . . 0.0 108.288 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.92 -41.45 97.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.967 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.76 HD23 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -55.4 -39.65 70.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.0 -1.062 . . . . 0.0 110.112 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -68.36 -35.25 77.45 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.922 -1.111 . . . . 0.0 110.228 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -26.54 66.03 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.819 -1.176 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' A' ' 76' ' ' PHE . 8.6 t -81.24 -41.98 21.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.689 -1.257 . . . . 0.0 110.426 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 54' ' ' ALA . 29.9 mt -63.4 -49.31 74.31 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.574 ' HA ' HD12 ' A' ' 39' ' ' ILE . 7.0 t60 -67.13 -15.76 63.91 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.176 -0.953 . . . . 0.0 111.545 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.51 19.45 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.232 -1.543 . . . . 0.0 111.012 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -89.32 -54.83 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 120.72 -1.238 . . . . 0.0 111.473 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 28.2 m-85 -66.32 -36.99 84.32 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.83 -1.169 . . . . 0.0 110.983 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -52.78 -34.23 52.32 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.692 -1.255 . . . . 0.0 110.4 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -50.79 -50.33 56.32 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.625 -1.297 . . . . 0.0 110.058 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -60.12 -56.98 14.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.046 -1.034 . . . . 0.0 109.467 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -148.11 -170.54 16.19 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.09 132.45 33.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.015 -1.285 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 30' ' ' HIS . 50.8 mt -90.73 129.66 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.063 -1.023 . . . . 0.0 109.11 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -65.6 -58.82 4.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.127 -0.983 . . . . 0.0 109.472 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.01 144.07 17.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.057 -1.027 . . . . 0.0 110.23 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -115.55 125.4 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -107.98 136.31 47.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.911 -1.118 . . . . 0.0 110.233 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 m -130.49 121.91 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.786 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -112.67 156.14 23.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.12 . . . . 0.0 109.921 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -127.64 38.32 4.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.111 -0.993 . . . . 0.0 109.743 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.8 p -85.55 -174.14 5.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 109.176 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.25 -41.33 98.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.929 -1.107 . . . . 0.0 109.514 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -74.57 -39.86 62.01 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.095 -1.003 . . . . 0.0 109.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.19 59.03 2.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.021 -1.049 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 46.95 0.93 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.952 -1.092 . . . . 0.0 109.41 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.27 60.65 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' HA ' HD13 ' A' ' 16' ' ' LEU . 10.5 pt20 -175.92 153.06 1.3 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.098 -1.236 . . . . 0.0 110.105 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -146.33 152.95 39.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.937 -1.102 . . . . 0.0 110.037 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 41.1 m-85 -110.39 137.43 48.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.029 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' CE1' ' A' ' 58' ' ' PHE . 23.4 t -120.62 127.16 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.996 -1.065 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 92' ' ' ILE . 9.7 mt -104.58 149.99 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.991 -1.068 . . . . 0.0 109.109 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m-85 -131.53 140.25 49.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 0.0 109.601 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HD3' HD11 ' A' ' 40' ' ' LEU . 14.4 ttpt -54.49 114.47 1.68 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.129 -0.982 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 59' ' ' LYS . 6.7 tt0 70.25 145.07 0.06 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.193 -0.942 . . . . 0.0 109.722 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ASN . 35.6 t -74.81 93.31 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.138 -0.976 . . . . 0.0 109.205 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -54.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.139 -0.976 . . . . 0.0 109.395 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.415 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 5.7 m -62.55 -40.07 95.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.165 -0.959 . . . . 0.0 108.417 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -66.47 -32.29 73.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 108.199 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.483 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 21.8 m -57.88 -43.2 85.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.531 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.12 -44.53 91.97 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.044 -1.035 . . . . 0.0 108.556 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -51.83 -32.95 33.84 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.104 -0.998 . . . . 0.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.572 HD22 HG22 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.57 -44.08 65.17 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 108.995 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 56.07 1.9 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 109.248 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 -56.56 0.06 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.101 -0.999 . . . . 0.0 110.057 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 74' ' ' PHE . 88.3 mtp -105.2 37.18 2.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.056 -1.028 . . . . 0.0 109.688 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.17 102.92 0.14 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.875 -1.141 . . . . 0.0 109.095 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.46 66.01 2.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CB ' ' HE2' ' A' ' 71' ' ' MET . 0.8 OUTLIER -110.22 171.1 4.66 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.25 . . . . 0.0 109.641 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.3 Cg_endo -78.25 143.82 20.21 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.926 1.751 . . . . 0.0 110.625 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.479 ' CZ ' ' OG ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -157.55 109.3 2.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.849 ' CD2' HD12 ' A' ' 20' ' ' ILE . 94.9 m-85 58.01 42.05 23.27 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.38 68.98 0.72 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.019 -1.05 . . . . 0.0 109.748 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.9 144.34 0.29 Allowed Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 120.947 -1.095 . . . . 0.0 109.952 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 131.85 10.46 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.576 1.517 . . . . 0.0 110.106 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -137.61 119.74 15.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.983 -1.073 . . . . 0.0 110.047 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.65 148.72 24.68 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.114 -0.991 . . . . 0.0 108.878 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.572 HG22 HD22 ' A' ' 68' ' ' LEU . 62.3 mt -105.4 135.49 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.177 -0.952 . . . . 0.0 110.345 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.75 136.32 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 29.7 m-85 -49.79 174.45 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.876 -1.14 . . . . 0.0 110.418 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.95 -176.77 5.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -43.63 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.9 p -115.69 179.72 3.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.994 -1.066 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -81.13 179.04 8.04 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.085 -1.01 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -94.88 151.96 18.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.041 -1.037 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.49 -22.74 23.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.049 -1.032 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.901 HD11 HG21 ' A' ' 57' ' ' ILE . 2.7 pt -57.7 -24.23 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.579 -1.326 . . . . 0.0 109.576 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.718 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 O-C-N 120.508 -1.37 . . . . 0.0 107.698 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 110.444 -0.637 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 109.374 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.703 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -56.81 -37.85 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.149 -0.969 . . . . 0.0 109.948 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 56' ' ' VAL . 94.0 m -106.82 153.01 23.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.099 . . . . 0.0 110.215 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.834 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.4 pt -113.12 158.56 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 0.0 108.814 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.57 ' O ' HG23 ' A' ' 83' ' ' ILE . 64.7 t80 -125.51 150.02 47.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.064 -1.023 . . . . 0.0 109.773 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.561 HG22 HD21 ' A' ' 16' ' ' LEU . 2.9 mt -132.25 141.42 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 108.979 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.5 p-10 -142.71 -176.49 4.89 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.008 -1.057 . . . . 0.0 109.548 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 61.57 43.64 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.938 -1.101 . . . . 0.0 109.289 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 13' ' ' ILE . 28.2 mt -100.33 -171.52 2.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.026 -1.046 . . . . 0.0 109.266 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.52 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -83.08 152.27 25.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.006 -1.059 . . . . 0.0 109.122 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.23 35.45 2.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.339 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -150.93 35.83 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.882 -1.136 . . . . 0.0 110.108 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.846 HD12 ' CD2' ' A' ' 77' ' ' TYR . 17.9 mm -93.77 154.5 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.861 -1.149 . . . . 0.0 110.071 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -84.13 -178.43 6.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -87.31 -40.7 14.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.996 -1.065 . . . . 0.0 109.092 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -25.77 57.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 108.764 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 41.7 mt-10 -75.96 -45.36 35.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.868 -1.145 . . . . 0.0 110.011 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.729 ' CD1' HG21 ' A' ' 20' ' ' ILE . 6.5 tp -68.3 -31.28 70.6 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.853 -1.154 . . . . 0.0 110.736 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -77.49 -27.1 51.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.7 -1.25 . . . . 0.0 110.359 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -77.32 -28.72 53.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.615 -1.303 . . . . 0.0 110.102 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.6 m -81.05 -39.91 25.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.697 -1.252 . . . . 0.0 110.174 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -55.66 7.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.925 -1.11 . . . . 0.0 109.6 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CA ' HD11 ' A' ' 42' ' ' ILE . 10.2 t-80 -53.31 -27.76 24.73 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.231 -0.918 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.88 -69.63 0.53 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.651 -1.281 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.83 -59.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.002 -1.061 . . . . 0.0 112.005 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 32' ' ' ILE . 81.4 m-85 -60.05 -37.93 81.29 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.86 -1.15 . . . . 0.0 110.711 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.7 t -54.41 -36.24 63.76 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.773 -1.204 . . . . 0.0 110.516 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.04 50.52 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.788 -1.195 . . . . 0.0 110.194 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -63.65 -55.8 20.74 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.36 -161.84 10.34 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -88.19 149.33 23.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.042 -1.269 . . . . 0.0 109.208 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD11 ' N ' ' A' ' 34' ' ' SER . 49.3 mt -111.89 116.38 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.92 -40.35 80.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.065 -1.022 . . . . 0.0 109.797 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.22 162.12 0.8 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.008 -1.057 . . . . 0.0 110.488 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' PHE . 27.0 mt -127.41 145.67 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.101 -0.999 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.66 126.35 51.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.99 -1.069 . . . . 0.0 109.729 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 t -118.35 160.59 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.183 -0.948 . . . . 0.0 108.628 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.86 157.28 43.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.962 -1.086 . . . . 0.0 109.823 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -128.38 37.06 4.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.025 -1.047 . . . . 0.0 109.684 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.5 p -103.53 173.89 6.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.962 -1.086 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.02 -58.57 6.32 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 109.763 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -55.78 -42.68 75.88 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.046 -1.034 . . . . 0.0 109.794 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mmm -101.47 62.07 0.93 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.995 -1.066 . . . . 0.0 109.357 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.28 128.01 55.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.944 -1.098 . . . . 0.0 109.525 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.89 40.06 31.72 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 16' ' ' LEU . 9.2 pt20 -155.16 151.63 28.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.267 . . . . 0.0 109.885 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.74 153.03 38.74 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.004 -1.06 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 42' ' ' ILE . 34.1 m-85 -113.93 135.55 53.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.002 -1.061 . . . . 0.0 109.388 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 10' ' ' THR . 41.4 t -115.99 132.02 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.892 -1.13 . . . . 0.0 109.31 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.877 HG21 HD11 ' A' ' 92' ' ' ILE . 21.4 mt -104.63 121.54 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-85 -100.13 147.8 25.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.085 -1.009 . . . . 0.0 109.097 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -54.09 -39.31 66.22 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.96 -1.088 . . . . 0.0 109.605 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.66 159.53 34.41 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.08 -1.012 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 9' ' ' HIS . 42.5 t -67.35 -34.8 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.129 -0.982 . . . . 0.0 109.993 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -60.97 -37.92 84.12 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.98 -1.075 . . . . 0.0 109.91 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -34.53 72.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.802 -1.186 . . . . 0.0 110.342 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.834 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.83 -29.64 56.0 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.787 -1.196 . . . . 0.0 109.752 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 7.4 m -63.84 -40.79 97.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.842 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.2 -40.86 64.42 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.383 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -25.8 65.48 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.009 -1.057 . . . . 0.0 110.754 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -86.6 -37.89 17.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.543 -1.348 . . . . 0.0 110.456 -179.135 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -40.22 84.56 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.827 -1.171 . . . . 0.0 109.428 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -85.56 -26.75 25.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.057 -1.027 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.6 mmm -101.28 33.71 2.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.556 -1.34 . . . . 0.0 110.318 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -78.19 98.12 5.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.831 -1.168 . . . . 0.0 108.469 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.5 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -114.48 164.62 15.86 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.269 . . . . 0.0 109.864 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.7 Cg_endo -79.89 114.54 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.999 1.799 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -129.91 114.76 16.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.132 -0.98 . . . . 0.0 108.438 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.846 ' CD2' HD12 ' A' ' 20' ' ' ILE . 88.5 m-85 60.05 42.5 15.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.207 -0.933 . . . . 0.0 109.895 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.84 68.97 0.76 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.103 -0.998 . . . . 0.0 110.756 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 tttp 179.34 141.0 0.29 Allowed Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 120.899 -1.126 . . . . 0.0 110.187 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 114.97 3.66 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.409 1.406 . . . . 0.0 109.706 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.13 127.4 45.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 0.0 110.485 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.7 146.6 24.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.11 -0.994 . . . . 0.0 108.572 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 12' ' ' TYR . 63.5 mt -105.11 134.86 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.955 -1.091 . . . . 0.0 110.396 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.2 135.31 49.53 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 42.3 m-85 -50.44 137.61 18.68 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 120.852 -1.155 . . . . 0.0 110.134 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 176.0 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.072 -1.018 . . . . 0.0 109.69 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -92.88 -41.65 9.94 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 0.0 109.793 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.9 p -113.04 179.58 3.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.647 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.04 -177.6 6.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.078 -1.014 . . . . 0.0 109.203 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -99.96 140.57 34.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.04 -31.34 70.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.182 -0.949 . . . . 0.0 110.455 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 57' ' ' ILE . 1.2 pp -63.26 -25.9 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.696 -1.252 . . . . 0.0 109.257 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.499 2.001 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo . . . . . 0 CA--C 1.534 0.506 0 N-CA-C 110.76 -0.515 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.1 t30 -171.5 162.0 6.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.33 -0.856 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.556 ' CG ' HG22 ' A' ' 61' ' ' VAL . 2.1 t-160 -100.82 33.37 2.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.891 -1.131 . . . . 0.0 110.377 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 56' ' ' VAL . 51.1 m -168.66 141.26 2.83 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.812 -1.18 . . . . 0.0 110.125 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 33' ' ' PHE . 45.4 pt -106.36 169.56 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.863 -1.148 . . . . 0.0 108.848 179.015 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 13.8 t80 -157.09 125.66 5.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 109.904 -178.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG21 ' SD ' ' A' ' 81' ' ' MET . 5.3 mt -106.04 143.32 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.184 -0.948 . . . . 0.0 108.669 179.284 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 29.1 t30 -129.87 48.93 2.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.973 -1.08 . . . . 0.0 109.843 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -147.05 46.26 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.064 -1.022 . . . . 0.0 109.169 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.497 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.4 mm? -93.38 179.2 5.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.0 109.541 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -102.24 165.06 11.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.076 -1.015 . . . . 0.0 109.209 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -97.12 48.26 1.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.367 -0.833 . . . . 0.0 109.844 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.27 37.86 0.49 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.906 -1.121 . . . . 0.0 109.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 25' ' ' LEU . 11.4 mm -92.54 158.83 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.022 -1.049 . . . . 0.0 109.477 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -99.97 27.85 5.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt 65.97 -83.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.368 -0.832 . . . . 0.0 112.277 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.99 -27.95 55.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.225 -1.547 . . . . 0.0 108.853 179.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.36 -44.99 85.89 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.036 -1.04 . . . . 0.0 109.528 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.771 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.9 tp -67.51 -16.26 64.11 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.944 -1.098 . . . . 0.0 111.39 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -84.48 -34.11 23.46 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.456 -1.402 . . . . 0.0 109.711 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -71.59 -36.49 70.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.782 -1.199 . . . . 0.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.9 m -76.97 -40.62 46.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.823 -1.173 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 32' ' ' ILE . 16.7 mt -62.68 -30.33 71.31 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.979 -1.076 . . . . 0.0 110.818 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.766 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.1 t-80 -72.63 -41.28 65.69 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 110.044 -179.415 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.75 70.73 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.104 -0.997 . . . . 0.0 110.171 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -56.97 -51.08 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.926 -1.109 . . . . 0.0 110.568 -178.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.701 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 29.3 m-85 -96.66 36.88 1.33 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.007 -1.058 . . . . 0.0 111.716 -178.248 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -111.0 -49.47 3.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.692 -1.255 . . . . 0.0 109.989 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ptm85 -48.21 -28.94 3.31 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.75 -1.218 . . . . 0.0 111.507 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.43 53.68 2.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.586 -1.322 . . . . 0.0 110.85 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.26 -155.82 16.03 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.612 -1.305 . . . . 0.0 110.353 178.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -113.37 150.22 32.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.175 -1.191 . . . . 0.0 109.472 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 30' ' ' HIS . 59.7 mt -102.79 115.37 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.109 -0.995 . . . . 0.0 109.492 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 59' ' ' LYS . 94.9 mt -57.58 -43.66 84.74 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.992 -1.067 . . . . 0.0 109.464 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.01 166.75 1.6 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.024 -1.047 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.47 123.99 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 0.0 109.188 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mp -99.94 134.71 42.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.043 -1.036 . . . . 0.0 109.77 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.4 t -136.1 160.33 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.15 -0.969 . . . . 0.0 108.725 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.37 168.6 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.018 -1.051 . . . . 0.0 110.262 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -129.89 39.29 3.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.977 -1.077 . . . . 0.0 109.712 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 p -90.27 -179.86 5.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.953 -1.092 . . . . 0.0 109.393 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.82 -50.8 54.76 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.998 -1.063 . . . . 0.0 109.485 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.57 -40.0 74.44 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.074 -1.016 . . . . 0.0 109.77 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 mtm -107.27 63.72 0.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.56 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.23 40.44 1.46 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.871 -1.143 . . . . 0.0 109.437 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.93 55.65 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 2.8 pt20 -170.25 152.97 4.29 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.054 -1.262 . . . . 0.0 109.621 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -137.08 153.71 50.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.89 -1.131 . . . . 0.0 110.062 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 12' ' ' TYR . 73.6 m-85 -115.63 135.44 54.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.007 -1.058 . . . . 0.0 109.116 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 10' ' ' THR . 60.3 t -126.99 148.54 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.965 -1.084 . . . . 0.0 109.405 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 1.026 HG21 HD11 ' A' ' 92' ' ' ILE . 36.9 mt -130.04 148.16 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 0.0 109.176 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 27.7 m-85 -120.73 155.9 32.94 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.979 -1.076 . . . . 0.0 109.729 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HA ' HD11 ' A' ' 40' ' ' LEU . 7.8 tttp -54.28 -39.9 67.33 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.005 -1.059 . . . . 0.0 109.439 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -124.13 176.74 6.2 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.137 -0.977 . . . . 0.0 109.23 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.4 t -81.33 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.6 p -56.7 -30.89 63.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.95 -1.094 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -67.58 -39.28 84.87 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.712 -1.243 . . . . 0.0 110.22 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -72.74 -24.12 60.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.912 -1.117 . . . . 0.0 109.595 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -70.03 -40.96 74.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.885 -1.134 . . . . 0.0 109.042 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.09 -42.5 94.01 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.054 -1.029 . . . . 0.0 108.668 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.48 -37.94 68.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.972 -1.08 . . . . 0.0 109.433 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -65.08 -40.32 94.46 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.617 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -94.27 55.88 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.892 -1.13 . . . . 0.0 109.472 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -149.3 -60.07 0.22 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.043 -1.036 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.5 mmm -109.88 38.37 2.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.081 -1.012 . . . . 0.0 109.337 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -67.43 109.07 3.04 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.905 -1.122 . . . . 0.0 109.154 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.14 59.9 4.06 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -131.31 157.7 77.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.093 -1.24 . . . . 0.0 109.647 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.89 131.44 10.09 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.965 1.777 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 8.2 t80 -127.62 -59.86 1.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -0.99 . . . . 0.0 109.229 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.688 ' CE2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -112.96 63.71 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.075 -1.016 . . . . 0.0 109.318 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.21 41.33 10.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.985 -1.072 . . . . 0.0 109.739 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -178.66 152.45 0.76 Allowed Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.104 -0.997 . . . . 0.0 110.063 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.4 149.73 27.84 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.731 1.621 . . . . 0.0 110.192 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.474 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.82 147.73 31.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.992 -1.067 . . . . 0.0 110.183 -179.551 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -107.03 156.44 18.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.938 . . . . 0.0 109.534 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 68' ' ' LEU . 16.8 mm -109.36 129.52 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.06 -1.025 . . . . 0.0 110.049 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.55 133.11 22.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.975 -1.078 . . . . 0.0 108.807 179.181 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 19.4 m-85 -53.96 171.14 0.11 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.684 -1.26 . . . . 0.0 109.114 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.6 -171.09 3.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.008 -1.058 . . . . 0.0 108.958 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -43.29 20.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.962 -1.086 . . . . 0.0 109.38 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -123.65 179.24 4.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.987 -1.071 . . . . 0.0 109.724 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -66.54 -174.14 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.086 -1.008 . . . . 0.0 108.888 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.603 ' OG ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -97.47 144.15 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.944 -1.097 . . . . 0.0 109.065 179.638 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.92 -39.38 87.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.009 -1.057 . . . . 0.0 110.163 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 1.026 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -58.75 -26.95 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.897 -1.127 . . . . 0.0 110.24 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.603 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.7 mp . . . . . 0 N--CA 1.503 2.199 0 O-C-N 120.448 -1.407 . . . . 0.0 108.659 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.6 Cg_endo . . . . . 0 CA--C 1.536 0.588 0 N-CA-C 110.375 -0.664 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.1 t-20 -128.32 -70.14 0.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.015 . . . . 0.0 109.917 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER 169.56 -44.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.166 -0.959 . . . . 0.0 109.167 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 56' ' ' VAL . 88.6 m -108.77 118.86 37.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 110.272 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -76.29 171.24 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.954 -1.091 . . . . 0.0 108.608 178.596 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -136.62 117.71 14.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.95 -1.094 . . . . 0.0 109.964 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 29' ' ' LEU . 6.4 mt -90.01 151.31 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.021 -1.049 . . . . 0.0 108.924 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -141.01 160.34 40.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.046 -1.034 . . . . 0.0 109.746 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.69 49.31 0.4 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.863 -1.148 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -83.51 -177.07 6.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.952 -1.092 . . . . 0.0 109.32 179.576 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -99.52 150.22 22.43 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.018 -1.051 . . . . 0.0 109.96 -179.482 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -105.59 61.3 0.67 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.131 -0.98 . . . . 0.0 109.474 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.9 -59.31 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.078 . . . . 0.0 109.55 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.977 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -54.88 155.49 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 O-C-N 121.158 -0.964 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.85 -170.35 3.03 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.225 -179.069 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -82.82 -36.58 25.41 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.992 -1.067 . . . . 0.0 110.358 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.48 -37.99 77.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.9 -1.125 . . . . 0.0 108.683 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.46 -45.59 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.994 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -65.56 -17.8 64.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.267 -0.896 . . . . 0.0 111.13 179.654 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -77.41 -33.44 55.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.473 -1.392 . . . . 0.0 109.636 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.17 -27.7 63.71 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.717 -1.239 . . . . 0.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -81.95 -41.85 20.24 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.708 -1.245 . . . . 0.0 110.628 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD2' HD13 ' A' ' 13' ' ' ILE . 8.0 mt -69.76 -58.79 3.47 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.798 -1.188 . . . . 0.0 109.849 -179.247 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 8.3 t-80 -52.55 -27.49 16.88 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.113 -0.992 . . . . 0.0 111.047 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.3 -69.13 0.52 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.634 -1.291 . . . . 0.0 110.355 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.29 -57.75 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.943 -1.098 . . . . 0.0 111.607 -178.481 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.8 m-85 -60.39 -37.59 81.26 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.843 -1.16 . . . . 0.0 110.673 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.404 ' N ' HD11 ' A' ' 39' ' ' ILE . 6.8 t -55.11 -36.42 65.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.788 -1.195 . . . . 0.0 110.239 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -51.88 -46.11 64.38 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.728 -1.232 . . . . 0.0 110.048 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -52.76 -57.39 10.29 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.964 -1.085 . . . . 0.0 109.716 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.15 -120.25 0.92 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.83 130.63 50.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.244 . . . . 0.0 109.284 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 66.0 mt -95.03 136.72 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.008 -1.058 . . . . 0.0 109.544 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mp -90.56 -41.13 11.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.032 -1.042 . . . . 0.0 109.421 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -161.14 160.17 29.91 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.064 -1.022 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 29' ' ' LEU . 13.2 tt -135.69 157.86 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.094 -1.004 . . . . 0.0 108.821 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 55' ' ' PHE . 4.9 mp -131.17 126.15 34.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.895 -1.128 . . . . 0.0 109.943 -179.649 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 44' ' ' VAL . 23.5 t -123.16 22.34 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -47.29 144.14 2.99 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.787 -1.196 . . . . 0.0 110.567 -179.586 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' SER . 16.5 mtm180 -97.81 -75.37 0.55 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 46' ' ' ARG . 79.6 p 47.81 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.955 -1.091 . . . . 0.0 110.164 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.97 -37.05 27.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.498 -1.376 . . . . 0.0 109.571 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.03 -41.78 70.36 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.931 -1.105 . . . . 0.0 110.098 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 11.0 mmt -93.97 59.02 2.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.898 -1.126 . . . . 0.0 109.404 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -100.54 46.88 0.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.973 -1.08 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.38 58.56 0.03 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.657 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -178.4 171.9 1.55 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.126 -1.22 . . . . 0.0 109.953 -179.434 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -156.56 173.1 17.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.507 -1.371 . . . . 0.0 110.692 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 43' ' ' LEU . 51.7 m-85 -128.11 113.5 15.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.158 -0.964 . . . . 0.0 108.987 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' THR . 42.0 t -103.79 140.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.889 -1.132 . . . . 0.0 109.446 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.68 HG21 HD11 ' A' ' 92' ' ' ILE . 39.7 mt -119.99 145.77 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.009 -1.057 . . . . 0.0 109.378 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' ALA . 16.5 m-85 -119.86 150.61 40.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.931 -1.105 . . . . 0.0 109.285 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -40.77 70.09 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.019 -1.051 . . . . 0.0 109.476 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.7 164.19 15.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.117 -0.99 . . . . 0.0 109.451 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.421 HG22 ' ND1' ' A' ' 9' ' ' HIS . 38.9 t -74.6 -38.7 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.061 -1.024 . . . . 0.0 109.691 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 p -60.3 -34.49 73.85 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.065 -1.022 . . . . 0.0 110.295 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -36.86 77.01 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.832 -1.167 . . . . 0.0 110.338 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.65 -33.15 62.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.827 -1.17 . . . . 0.0 109.367 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.6 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -59.48 -38.77 81.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.986 -1.071 . . . . 0.0 109.436 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -36.85 66.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.959 -1.088 . . . . 0.0 109.479 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.64 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.15 -7.12 54.07 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.878 -1.139 . . . . 0.0 111.512 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -98.86 -42.97 6.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.328 -1.482 . . . . 0.0 110.292 -179.44 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -76.94 -40.23 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.918 -1.114 . . . . 0.0 109.858 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -63.16 -38.86 92.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.997 -1.065 . . . . 0.0 109.653 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.406 ' HB3' HD11 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -107.29 37.91 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.986 -1.071 . . . . 0.0 109.79 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 98.25 9.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.008 -1.057 . . . . 0.0 109.107 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.41 55.2 2.51 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -123.47 156.41 64.18 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.04 -1.27 . . . . 0.0 109.636 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.68 135.72 14.69 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.824 1.682 . . . . 0.0 110.093 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -137.12 -59.81 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.045 -1.035 . . . . 0.0 109.663 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.977 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -110.62 66.78 0.63 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.029 -1.044 . . . . 0.0 109.825 -179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.3 40.33 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.0 109.907 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 178.72 155.98 0.59 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.963 -1.085 . . . . 0.0 110.135 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.99 147.49 23.99 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.893 1.729 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.57 137.9 24.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.984 -1.073 . . . . 0.0 109.853 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -101.28 150.98 22.42 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.985 . . . . 0.0 109.208 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 68' ' ' LEU . 63.4 mt -112.85 141.82 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.14 -0.975 . . . . 0.0 109.875 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -146.93 135.78 22.25 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 109.019 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' OH ' HG23 ' A' ' 65' ' ' THR . 30.7 m-85 -48.03 170.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.908 -1.12 . . . . 0.0 110.762 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.15 -170.1 2.94 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.076 -1.015 . . . . 0.0 109.591 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -87.74 -46.9 9.07 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.18 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.7 p -122.31 179.62 4.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 109.818 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.76 -179.31 2.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.091 -1.006 . . . . 0.0 109.208 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.428 ' HG ' HG12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -93.52 156.22 16.87 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.031 -1.043 . . . . 0.0 109.659 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.47 -32.76 23.82 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.011 . . . . 0.0 110.116 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pt -60.26 -27.26 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.719 -1.238 . . . . 0.0 110.254 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.528 -1.357 . . . . 0.0 109.075 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 110.522 -0.607 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -139.31 -168.19 2.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.011 -1.055 . . . . 0.0 108.68 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HD1' HG22 ' A' ' 61' ' ' VAL . 2.0 p-80 -120.79 49.79 1.42 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.805 -1.184 . . . . 0.0 109.268 179.367 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HG13 ' A' ' 57' ' ' ILE . 8.3 m -144.78 86.16 1.79 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 108.954 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 68' ' ' LEU . 26.0 pt -68.26 168.39 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.059 -1.025 . . . . 0.0 109.832 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 46.8 t80 -150.08 138.92 20.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.113 -0.992 . . . . 0.0 109.235 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.8 133.49 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.072 -1.018 . . . . 0.0 109.01 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 9.6 p-10 -129.06 40.06 3.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.154 -0.966 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -141.81 42.56 1.71 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.059 -1.025 . . . . 0.0 109.168 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 3.6 mp -96.28 -178.38 4.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.158 -0.964 . . . . 0.0 109.502 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' HD11 ' A' ' 20' ' ' ILE . 49.6 t30 -77.49 157.82 30.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.026 -1.046 . . . . 0.0 108.989 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.91 35.4 2.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.16 -0.962 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -150.07 35.87 0.67 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.864 -1.148 . . . . 0.0 109.782 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.885 HD12 ' CD2' ' A' ' 77' ' ' TYR . 15.3 mm -95.61 154.21 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.935 -1.103 . . . . 0.0 110.004 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.07 -179.67 7.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -86.16 -39.99 16.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.893 -1.129 . . . . 0.0 109.168 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.34 -27.43 56.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 108.729 178.299 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.1 tt0 -72.78 -45.03 60.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.853 -1.155 . . . . 0.0 110.168 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.739 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.62 -35.43 78.92 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.875 -1.141 . . . . 0.0 110.276 -179.494 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -22.43 59.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.872 -1.143 . . . . 0.0 110.649 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -80.0 -31.86 39.69 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.506 -1.371 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.8 m -77.11 -38.29 52.52 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.712 -1.242 . . . . 0.0 110.21 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.68 -51.91 17.45 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.85 -1.156 . . . . 0.0 109.636 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' OG ' ' A' ' 34' ' ' SER . 13.3 t60 -53.29 -28.62 28.94 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.122 -0.986 . . . . 0.0 110.764 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.38 -68.46 0.66 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.697 -1.252 . . . . 0.0 110.087 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -44.76 -59.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.967 -1.083 . . . . 0.0 112.346 -178.559 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' HG21 ' A' ' 56' ' ' VAL . 23.6 m-85 -62.88 -40.83 98.74 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.751 -1.218 . . . . 0.0 111.229 -178.589 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 20.3 p -52.34 -33.67 43.83 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.746 -1.221 . . . . 0.0 110.631 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -54.31 -49.85 68.7 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.686 -1.259 . . . . 0.0 109.793 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -55.47 -59.64 4.53 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 109.766 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.72 -148.35 4.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -98.82 144.05 28.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.071 -1.253 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 57' ' ' ILE . 45.3 mt -106.45 136.04 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.087 -1.008 . . . . 0.0 109.199 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 59' ' ' LYS . 92.2 mt -76.36 -42.14 45.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.951 -1.093 . . . . 0.0 109.367 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -176.46 152.85 1.1 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.169 -0.957 . . . . 0.0 110.497 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.438 HG12 HG13 ' A' ' 56' ' ' VAL . 46.5 mt -122.96 130.44 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 108.955 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.01 108.0 17.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.005 -1.059 . . . . 0.0 109.924 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.31 143.63 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.06 -1.025 . . . . 0.0 108.951 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -125.26 147.2 49.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.875 -1.141 . . . . 0.0 109.82 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -122.82 36.53 4.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 109.888 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.4 p -93.28 176.11 6.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.874 -1.141 . . . . 0.0 109.045 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -66.22 -56.8 9.54 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.924 -1.11 . . . . 0.0 109.567 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.57 -41.04 89.26 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.035 -1.041 . . . . 0.0 109.369 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.93 60.46 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.95 137.38 40.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 109.52 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 60.96 39.57 97.2 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -133.28 158.19 43.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.022 -1.281 . . . . 0.0 109.308 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.7 141.06 17.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.988 -1.07 . . . . 0.0 110.478 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 87.0 m-85 -111.12 141.46 44.59 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.068 -1.02 . . . . 0.0 108.945 179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 33' ' ' PHE . 19.3 t -134.75 126.09 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.927 -1.108 . . . . 0.0 109.175 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.828 HG13 HG23 ' A' ' 10' ' ' THR . 4.6 mp -110.66 157.61 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.05 -1.031 . . . . 0.0 108.512 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.926 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 81.5 m-85 -128.09 155.89 43.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.027 -1.046 . . . . 0.0 109.78 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.3 tttm -44.52 -34.64 2.17 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.473 -0.767 . . . . 0.0 111.459 -178.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -151.49 -174.06 4.71 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.766 -1.209 . . . . 0.0 110.22 -179.364 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.627 HG22 ' HD1' ' A' ' 9' ' ' HIS . 3.1 t -85.07 87.03 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.242 -0.911 . . . . 0.0 109.257 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -49.45 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.098 -1.001 . . . . 0.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 8.5 t -63.21 -37.43 87.2 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.976 -1.077 . . . . 0.0 109.31 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -71.6 -37.23 70.99 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.809 -1.182 . . . . 0.0 108.4 178.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 16.2 m -55.66 -37.98 68.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -0.955 . . . . 0.0 109.92 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -73.79 -36.06 64.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.966 -1.084 . . . . 0.0 109.523 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -74.95 -8.41 56.42 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.799 -1.188 . . . . 0.0 111.108 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -99.29 -37.15 9.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.351 -1.468 . . . . 0.0 110.658 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -83.35 -31.75 26.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.753 -1.217 . . . . 0.0 110.93 -179.205 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.49 24.77 6.27 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.744 -1.222 . . . . 0.0 111.356 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 10.1 mtp -147.05 40.59 1.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.546 -1.346 . . . . 0.0 109.661 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.62 102.41 12.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.982 -1.074 . . . . 0.0 109.139 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.26 56.57 2.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -99.65 163.57 18.25 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.169 -1.195 . . . . 0.0 109.591 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 124.68 6.35 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 122.058 1.839 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -147.55 107.49 4.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 109.179 179.787 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.885 ' CD2' HD12 ' A' ' 20' ' ' ILE . 95.0 m-85 59.08 44.29 16.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 0.0 109.693 -179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.61 65.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -179.95 142.41 0.35 Allowed Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.919 -1.113 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.72 125.08 6.56 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 121.63 1.553 . . . . 0.0 109.837 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.48 135.43 51.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.963 -1.086 . . . . 0.0 110.138 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -103.86 150.66 23.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.129 -0.982 . . . . 0.0 109.064 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' HG ' ' A' ' 68' ' ' LEU . 64.2 mt -111.16 138.48 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 0.0 110.273 -179.467 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.531 ' C ' HD11 ' A' ' 68' ' ' LEU . 21.7 pt20 -149.43 136.59 19.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -0.924 . . . . 0.0 108.855 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 17.3 m-85 -48.73 166.43 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.88 -1.137 . . . . 0.0 110.185 -179.263 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.2 176.3 7.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.003 -1.06 . . . . 0.0 109.52 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -80.23 -49.02 12.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.123 -0.985 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.8 p -106.91 179.72 4.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.125 -0.984 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -89.24 179.53 6.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.053 -1.03 . . . . 0.0 109.234 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -86.43 156.44 20.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.014 -1.054 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -75.99 -29.69 58.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.01 -1.056 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.624 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.0 pp -60.3 -24.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.729 -1.232 . . . . 0.0 109.189 178.805 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.637 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.141 0 O-C-N 120.477 -1.389 . . . . 0.0 107.805 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.3 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 N-CA-C 110.443 -0.637 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.3 m120 -103.72 -175.22 2.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.063 -1.023 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -102.4 36.26 2.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.032 -1.042 . . . . 0.0 109.869 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 90' ' ' SER . 60.4 m -167.29 109.03 0.64 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.853 -1.154 . . . . 0.0 109.981 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.695 HG23 ' HB1' ' A' ' 64' ' ' ALA . 27.7 pt -77.0 164.67 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.911 -1.118 . . . . 0.0 109.527 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 40.3 t80 -139.98 148.13 41.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.967 . . . . 0.0 109.111 -179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 16' ' ' LEU . 3.1 mt -128.55 143.7 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.377 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.01 -176.94 4.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.037 -1.039 . . . . 0.0 109.415 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.94 45.09 15.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.867 -1.145 . . . . 0.0 109.254 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 13' ' ' ILE . 4.9 mp -92.29 -176.14 4.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.053 -1.029 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -84.11 152.76 24.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.005 -1.059 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.55 49.3 0.98 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 0.0 109.712 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -152.14 37.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.007 -1.058 . . . . 0.0 109.935 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 25' ' ' LEU . 13.2 mm -91.68 155.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -100.98 27.58 5.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.917 . . . . 0.0 111.333 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 69.1 -82.56 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.467 -0.77 . . . . 0.0 112.032 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.52 -27.06 62.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.358 -1.464 . . . . 0.0 108.806 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.97 -43.5 92.44 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.003 -1.061 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.783 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.5 tp -67.48 -18.5 65.09 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.869 -1.144 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -81.69 -35.75 29.49 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.46 -1.4 . . . . 0.0 109.872 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -71.13 -36.42 72.11 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.815 -1.178 . . . . 0.0 109.865 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -74.65 -38.68 62.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.863 -1.148 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 25' ' ' LEU . 13.7 mt -65.37 -31.01 71.9 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.929 -1.107 . . . . 0.0 110.542 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -70.04 -26.47 64.05 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.749 -1.22 . . . . 0.0 111.149 -179.45 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -47.22 10.72 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.55 -1.344 . . . . 0.0 110.48 -179.209 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -60.81 -49.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 120.904 -1.122 . . . . 0.0 110.664 -179.016 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' C ' HD11 ' A' ' 39' ' ' ILE . 55.2 m-85 -91.24 23.7 3.22 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.036 -1.04 . . . . 0.0 112.665 -178.181 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -102.64 -44.99 5.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.34 -1.475 . . . . 0.0 110.225 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -47.05 -32.56 4.12 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.842 -1.161 . . . . 0.0 110.926 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 59.6 m-85 -56.46 -64.18 0.95 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.76 -1.212 . . . . 0.0 109.923 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.54 61.36 0.15 Allowed Glycine 0 N--CA 1.5 2.924 0 C-N-CA 119.466 -1.349 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 61.44 148.83 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.388 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 42' ' ' ILE . 44.5 mt -119.0 143.45 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.007 -1.058 . . . . 0.0 108.995 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' CD2' HD12 ' A' ' 92' ' ' ILE . 7.3 mp -86.0 -63.05 1.38 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.877 -179.749 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.78 155.69 42.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.839 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 39' ' ' ILE . 64.4 mt -141.94 113.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.406 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.71 167.99 12.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.115 -0.991 . . . . 0.0 109.3 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.65 -178.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.966 -1.084 . . . . 0.0 109.101 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -54.17 175.67 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.898 -1.126 . . . . 0.0 109.533 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.0 OUTLIER 179.29 48.21 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.989 -1.069 . . . . 0.0 110.667 -179.352 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 3.5 p 157.54 175.53 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.836 0 O-C-N 121.445 -0.785 . . . . 0.0 109.336 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.21 -52.16 50.64 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.899 -1.126 . . . . 0.0 109.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -49.12 -36.75 19.74 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.045 -1.034 . . . . 0.0 110.633 -179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mmm -102.41 62.49 0.86 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.898 -1.126 . . . . 0.0 109.655 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 57.79 0.83 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 109.38 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.03 59.69 0.02 OUTLIER Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 1.3 pm0 -175.02 155.3 1.97 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.044 -1.268 . . . . 0.0 110.157 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.4 7.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.037 -1.039 . . . . 0.0 109.872 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -135.53 127.74 30.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.0 109.132 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 61.0 t -122.92 137.21 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.797 ' CG2' HD11 ' A' ' 92' ' ' ILE . 3.7 mt -122.6 126.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.111 -0.993 . . . . 0.0 108.695 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 33' ' ' PHE . 67.5 m-85 -96.65 159.91 14.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.944 -1.097 . . . . 0.0 109.517 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 40' ' ' LEU . 23.3 tttt -56.98 -40.17 76.03 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.044 -1.035 . . . . 0.0 109.234 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.77 172.12 7.74 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.1 -1.0 . . . . 0.0 109.365 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 8' ' ' ASN . 42.0 t -81.3 -35.94 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.109 -0.995 . . . . 0.0 109.855 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.8 p -58.72 -36.61 74.56 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.905 -1.122 . . . . 0.0 110.132 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -37.15 83.06 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.812 -1.18 . . . . 0.0 110.211 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -71.41 -28.69 64.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.866 -1.146 . . . . 0.0 109.336 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.478 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.9 m -65.66 -41.08 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.94 -1.1 . . . . 0.0 109.43 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.46 -42.18 92.6 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 108.821 179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -55.5 -36.32 66.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.062 -1.024 . . . . 0.0 109.756 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -69.61 -38.24 77.17 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.918 -1.114 . . . . 0.0 109.774 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -92.36 13.23 20.04 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.928 -1.108 . . . . 0.0 111.367 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.64 -51.24 3.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.408 -1.432 . . . . 0.0 109.308 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mtp -110.12 39.99 2.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.045 . . . . 0.0 109.402 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 112.75 1.59 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.27 65.44 3.37 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -127.5 160.1 62.19 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.084 -1.245 . . . . 0.0 109.675 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.19 133.83 12.45 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.865 1.71 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.48 ' CE1' HD13 ' A' ' 32' ' ' ILE . 18.5 t80 -125.1 -60.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 108.996 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.682 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -115.76 64.37 0.69 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.02 -1.05 . . . . 0.0 109.094 179.475 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 61.97 44.76 7.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.926 -1.109 . . . . 0.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.34 146.11 0.53 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.082 -1.011 . . . . 0.0 110.021 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.87 148.08 27.9 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.611 1.541 . . . . 0.0 110.093 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.43 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -151.27 138.18 19.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 110.421 -179.535 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 150.89 20.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 108.684 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 68' ' ' LEU . 63.3 mt -110.18 136.61 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.531 -179.331 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -133.03 140.36 47.69 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 7.1 m-85 -51.42 172.92 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.873 -1.142 . . . . 0.0 109.696 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -89.71 172.12 9.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.001 -1.062 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.92 -43.18 9.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.989 -1.069 . . . . 0.0 109.167 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -109.86 179.37 4.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.96 167.34 11.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.027 -1.046 . . . . 0.0 109.196 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 1.7 t -94.22 165.95 12.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -98.55 -13.49 20.41 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.04 -1.038 . . . . 0.0 111.412 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.797 HD11 ' CG2' ' A' ' 57' ' ' ILE . 2.5 pt -57.02 -24.31 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.346 -1.471 . . . . 0.0 109.647 178.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.709 HD13 HG13 ' A' ' 92' ' ' ILE . 1.2 mm . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.571 -1.331 . . . . 0.0 107.6 178.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.637 0 N-CA-C 110.491 -0.619 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 61' ' ' VAL . 20.8 m120 -142.64 178.35 7.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.084 -1.01 . . . . 0.0 109.301 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.57 32.11 3.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.071 . . . . 0.0 110.252 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 56' ' ' VAL . 90.4 m -168.36 127.96 1.22 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.942 -1.099 . . . . 0.0 109.876 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CE1' ' A' ' 33' ' ' PHE . 1.2 pp -90.18 171.65 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.927 -1.108 . . . . 0.0 108.99 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 21.5 t80 -147.98 121.47 9.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.995 -1.065 . . . . 0.0 109.652 -178.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.1 mt -109.8 141.76 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.983 -1.073 . . . . 0.0 109.365 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -138.08 -174.01 3.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.048 -1.032 . . . . 0.0 109.654 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 60.4 43.58 13.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.025 -1.047 . . . . 0.0 109.403 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 53' ' ' GLN . 19.6 mt -93.52 -179.64 5.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -75.94 153.15 36.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.044 -1.035 . . . . 0.0 109.523 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -101.6 50.31 0.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.0 109.634 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -153.73 39.67 0.49 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.009 -1.057 . . . . 0.0 109.665 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 25' ' ' LEU . 4.1 mt -109.31 159.08 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 108.954 -179.338 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.9 mmmt -112.22 29.83 7.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.001 -1.079 . . . . 0.0 112.721 -178.431 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 81.05 -67.02 0.12 Allowed 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 118.915 0.779 . . . . 0.0 112.171 178.21 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -56.86 -27.79 60.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.561 -1.337 . . . . 0.0 109.184 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' HB3' HG23 ' A' ' 20' ' ' ILE . 1.6 tt0 -65.97 -46.69 77.19 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.127 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.84 ' HG ' HG21 ' A' ' 20' ' ' ILE . 82.8 mt -67.91 -14.73 63.2 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.961 -1.087 . . . . 0.0 111.362 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -89.02 -26.77 21.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.298 -1.501 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -80.39 -31.62 37.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.57 -1.331 . . . . 0.0 109.528 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.2 m -87.83 -38.2 15.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.811 -1.18 . . . . 0.0 110.129 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.43 -51.33 15.23 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.894 -1.129 . . . . 0.0 109.393 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.55 -27.89 41.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 110.53 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.17 -69.42 0.58 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.595 -1.316 . . . . 0.0 110.162 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -47.01 -59.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.869 -1.144 . . . . 0.0 112.179 -178.488 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 32' ' ' ILE . 83.9 m-85 -60.38 -34.21 73.56 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.721 -1.237 . . . . 0.0 111.398 -178.622 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.518 ' N ' HD11 ' A' ' 39' ' ' ILE . 30.1 p -62.65 -32.0 72.96 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.648 -1.283 . . . . 0.0 110.767 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -35.47 18.71 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.63 -1.294 . . . . 0.0 110.624 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE1' ' ND2' ' A' ' 66' ' ' ASN . 82.8 m-85 -93.01 63.83 3.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.833 -1.167 . . . . 0.0 109.994 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.11 -139.51 14.44 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.516 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -129.85 149.49 51.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.24 . . . . 0.0 109.553 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.518 HD11 ' N ' ' A' ' 34' ' ' SER . 38.3 mt -101.0 119.71 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.06 -43.17 91.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.032 -1.043 . . . . 0.0 109.122 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.75 161.15 0.97 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.283 -0.886 . . . . 0.0 110.276 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.95 129.35 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.26 117.5 34.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.968 -1.082 . . . . 0.0 109.887 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 25' ' ' LEU . 7.2 t -113.51 160.57 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 108.594 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.82 169.53 20.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.914 -1.116 . . . . 0.0 110.149 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -136.39 39.69 2.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 0.0 109.68 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.4 p -89.29 176.28 7.0 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.984 -1.072 . . . . 0.0 108.728 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.0 -57.43 13.1 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.929 -1.107 . . . . 0.0 109.479 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -59.64 -40.63 88.3 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.077 -1.014 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.402 ' HG3' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -98.81 59.16 1.21 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.969 -1.082 . . . . 0.0 109.309 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 54.79 0.82 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.67 60.25 0.06 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -176.86 153.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.055 -1.262 . . . . 0.0 110.091 -179.913 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.17 10.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.947 -1.096 . . . . 0.0 110.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 32.1 m-85 -126.85 144.02 51.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.104 -0.998 . . . . 0.0 109.186 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 10' ' ' THR . 24.4 t -122.22 143.57 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.05 -1.031 . . . . 0.0 109.692 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.641 ' CG2' HD11 ' A' ' 93' ' ' ILE . 11.3 mt -111.59 147.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.031 -1.043 . . . . 0.0 108.787 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 71.4 m-85 -126.92 146.09 50.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.005 . . . . 0.0 109.731 -179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -49.84 -39.23 38.28 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.046 -1.034 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -129.32 167.43 17.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.098 -1.002 . . . . 0.0 109.266 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 8' ' ' ASN . 44.0 t -72.8 -38.5 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.085 -1.009 . . . . 0.0 109.624 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -61.04 -35.99 78.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.005 -1.059 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -56.8 -36.51 69.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.756 -1.215 . . . . 0.0 110.397 -179.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -74.56 -32.92 62.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.142 . . . . 0.0 109.414 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.631 HG23 ' OH ' ' A' ' 85' ' ' TYR . 2.2 m -60.16 -38.91 84.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.01 -1.056 . . . . 0.0 109.854 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.545 ' ND2' ' CE1' ' A' ' 36' ' ' PHE . 2.3 t30 -73.29 -38.49 65.86 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 109.446 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -70.11 -13.27 62.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.903 -1.123 . . . . 0.0 111.398 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -94.87 -40.37 9.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.351 -1.468 . . . . 0.0 110.289 -179.229 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -68.72 -39.69 80.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.918 -1.114 . . . . 0.0 109.869 -179.673 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 m -67.15 -37.52 83.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.997 -1.064 . . . . 0.0 109.788 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' ILE . 94.6 mmm -105.5 36.39 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.896 -1.127 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -73.39 108.74 6.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.819 -1.175 . . . . 0.0 108.941 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.42 73.8 0.46 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -121.69 162.98 33.73 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.044 -1.268 . . . . 0.0 109.906 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.39 115.5 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.121 1.88 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -140.05 130.4 25.31 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.017 -1.052 . . . . 0.0 108.483 179.538 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CD2' HG12 ' A' ' 20' ' ' ILE . 10.5 m-85 59.77 38.68 21.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.94 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 54.57 64.59 1.76 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.899 -1.126 . . . . 0.0 110.368 179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tttt 179.12 143.72 0.33 Allowed Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 120.776 -1.202 . . . . 0.0 110.079 179.521 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.61 117.95 4.42 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.502 1.468 . . . . 0.0 109.787 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -126.46 127.14 44.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.989 -1.07 . . . . 0.0 110.232 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -96.59 149.44 21.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.118 -0.989 . . . . 0.0 108.693 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.7 mt -107.41 137.49 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.079 -1.013 . . . . 0.0 110.268 -179.397 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.47 141.14 37.4 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.631 ' OH ' HG23 ' A' ' 65' ' ' THR . 18.2 m-85 -52.55 177.71 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.803 -1.186 . . . . 0.0 109.867 -179.636 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.13 -179.64 4.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.971 -1.081 . . . . 0.0 109.54 -179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -52.46 6.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.118 -0.989 . . . . 0.0 108.754 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -117.81 179.8 3.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.119 -0.988 . . . . 0.0 109.22 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 177.38 8.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.04 -1.038 . . . . 0.0 109.097 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 165.51 22.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.948 -1.095 . . . . 0.0 109.179 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -34.37 34.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 -179.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 57' ' ' ILE . 39.7 pt -63.51 -37.18 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.809 -1.182 . . . . 0.0 109.882 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.2 mp . . . . . 0 N--CA 1.505 2.312 0 O-C-N 120.817 -1.177 . . . . 0.0 108.446 178.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 Cg_endo . . . . . 0 CA--C 1.537 0.649 0 N-CA-C 110.144 -0.752 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.88 40.4 3.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.077 -1.015 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CD2' HG21 ' A' ' 93' ' ' ILE . 1.7 t60 58.97 23.09 11.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 111.148 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 55.1 m -169.41 143.14 2.79 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.51 -1.369 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.512 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.4 pt -108.93 164.56 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.915 -1.116 . . . . 0.0 108.915 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.28 129.7 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.76 138.5 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.023 -1.048 . . . . 0.0 109.281 179.751 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.11 -172.44 2.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 109.444 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 61.99 43.79 8.75 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.909 -1.119 . . . . 0.0 109.552 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 53' ' ' GLN . 9.4 mp -93.72 -179.33 4.97 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.007 -1.058 . . . . 0.0 109.324 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -89.36 149.12 23.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 109.029 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.0 44.04 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.0 109.802 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -141.71 30.27 1.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.997 -1.064 . . . . 0.0 110.161 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 24' ' ' GLU . 1.1 mp -120.09 155.14 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.861 -1.149 . . . . 0.0 108.885 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.88 -171.8 3.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.209 -0.932 . . . . 0.0 109.658 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -37.07 27.89 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.139 -0.976 . . . . 0.0 109.817 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.11 -29.3 69.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.093 -1.004 . . . . 0.0 108.78 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.756 ' HB2' HG22 ' A' ' 20' ' ' ILE . 26.9 mt-10 -73.56 -54.81 7.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 109.414 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.892 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -55.4 -25.05 33.48 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.114 . . . . 0.0 111.352 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -82.39 -34.65 28.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.444 -1.41 . . . . 0.0 110.256 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -72.03 -22.72 61.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.722 -1.236 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -43.56 10.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.54 -1.35 . . . . 0.0 110.283 -179.57 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.892 HD11 HD12 ' A' ' 25' ' ' LEU . 19.8 mt -72.55 -57.18 4.35 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.024 -1.048 . . . . 0.0 109.648 -179.397 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.579 ' HA ' HD11 ' A' ' 42' ' ' ILE . 17.0 t-80 -50.51 -29.28 10.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.204 -0.935 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.73 -69.7 0.53 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.689 -1.257 . . . . 0.0 110.207 -179.388 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.63 -60.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 112.255 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 56' ' ' VAL . 55.6 m-85 -60.55 -37.56 81.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.685 -1.26 . . . . 0.0 110.732 -178.85 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.56 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.0 t -54.39 -35.62 63.05 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.67 -1.269 . . . . 0.0 110.478 -179.292 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -49.61 -47.73 49.47 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.783 -1.198 . . . . 0.0 110.253 -179.523 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' A' ' 66' ' ' ASN . 97.0 m-85 -61.63 -56.69 17.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.989 -1.069 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.55 -164.04 11.88 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.84 150.48 25.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.24 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.56 HD11 ' N ' ' A' ' 34' ' ' SER . 45.4 mt -110.91 116.96 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -57.8 -45.21 86.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.991 -1.068 . . . . 0.0 109.526 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -179.16 151.24 0.49 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.021 -1.05 . . . . 0.0 110.502 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.2 mt -115.5 139.1 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.996 -1.065 . . . . 0.0 109.195 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -110.4 133.79 52.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.082 -1.011 . . . . 0.0 109.999 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.97 122.16 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.136 -0.977 . . . . 0.0 108.913 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.1 m -106.68 168.24 9.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.029 -1.044 . . . . 0.0 109.796 -179.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 38.19 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.025 -1.047 . . . . 0.0 109.824 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.9 p -92.59 -173.36 3.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.014 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.59 -51.27 15.02 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.966 -1.083 . . . . 0.0 109.545 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -58.8 -40.81 85.14 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.049 -1.032 . . . . 0.0 109.352 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 ttm -101.37 51.5 0.84 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.988 -1.07 . . . . 0.0 109.413 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.44 50.55 0.94 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.99 -1.069 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.08 57.69 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.1 pt20 -178.29 152.92 0.72 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.123 -1.222 . . . . 0.0 110.105 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.33 150.91 33.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.938 -1.101 . . . . 0.0 109.959 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -104.11 148.2 26.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.013 -1.055 . . . . 0.0 109.164 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 33' ' ' PHE . 47.1 t -124.78 125.1 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.904 -1.123 . . . . 0.0 109.15 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 92' ' ' ILE . 42.0 mt -98.14 119.94 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.034 -1.041 . . . . 0.0 109.123 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.44 146.82 24.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.99 -1.069 . . . . 0.0 108.824 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -51.02 -38.8 53.59 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.949 -1.094 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -129.13 169.13 15.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.057 -1.027 . . . . 0.0 109.169 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.62 -33.99 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.105 -0.997 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -59.09 -36.21 74.73 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.865 -1.147 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 4.2 m -61.23 -36.46 80.02 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.843 -1.161 . . . . 0.0 110.415 -179.396 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.81 -26.74 59.94 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.752 -1.218 . . . . 0.0 109.804 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.469 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 3.2 m -66.99 -40.52 87.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.799 -1.188 . . . . 0.0 109.493 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' OG ' ' A' ' 70' ' ' SER . 3.0 t30 -72.04 -37.0 69.8 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.011 -1.055 . . . . 0.0 109.76 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.28 64.99 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.895 -1.128 . . . . 0.0 110.623 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 83' ' ' ILE . 2.6 tp -81.89 -56.62 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.534 -1.354 . . . . 0.0 110.206 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -65.21 -17.67 64.67 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.07 -1.019 . . . . 0.0 111.469 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 66' ' ' ASN . 16.7 p -90.02 -38.28 13.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.491 -1.381 . . . . 0.0 110.05 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtp -104.88 37.34 2.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.873 -1.142 . . . . 0.0 109.745 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.62 96.3 0.93 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.946 -1.096 . . . . 0.0 109.0 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.47 75.49 0.78 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.92 165.75 16.96 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.025 -1.279 . . . . 0.0 109.751 -179.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.01 114.3 3.36 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 122.063 1.842 . . . . 0.0 110.539 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -145.93 131.17 18.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.013 -1.054 . . . . 0.0 109.076 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HE2' HG21 ' A' ' 20' ' ' ILE . 7.9 m-85 60.6 39.02 18.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 0.0 109.88 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.01 62.25 2.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.944 -1.098 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 176.43 150.01 0.32 Allowed Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 120.788 -1.195 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.6 123.39 6.42 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.551 1.5 . . . . 0.0 109.827 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.84 118.1 23.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.4 -179.416 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -91.42 140.86 29.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.005 . . . . 0.0 108.323 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 68' ' ' LEU . 62.6 mt -98.88 136.55 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.986 -1.072 . . . . 0.0 110.377 -179.315 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 134.13 47.43 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.549 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -50.87 173.34 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.901 -1.124 . . . . 0.0 109.773 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.15 162.35 13.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.974 -1.079 . . . . 0.0 109.95 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.13 -46.6 16.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.083 -1.011 . . . . 0.0 109.225 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.2 p -106.86 179.97 4.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.186 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.5 179.56 4.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.005 -1.059 . . . . 0.0 109.808 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 t -80.53 147.3 30.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.194 -0.941 . . . . 0.0 109.277 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.93 -23.93 60.75 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.138 -0.976 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 57' ' ' ILE . 33.1 pt -69.12 -40.62 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.564 -1.335 . . . . 0.0 110.003 -179.375 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.548 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 O-C-N 120.765 -1.209 . . . . 0.0 109.807 178.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 CA--C 1.535 0.547 0 N-CA-C 110.526 -0.605 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -91.45 -178.35 5.08 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.34 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HA ' HG23 ' A' ' 61' ' ' VAL . 2.2 t-160 -112.44 38.63 2.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 110.255 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 34.8 m -167.23 105.75 0.56 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.878 -1.139 . . . . 0.0 110.287 179.248 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.4 pp -67.4 168.87 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.01 -1.056 . . . . 0.0 108.821 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 52.4 t80 -157.44 142.14 16.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.777 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -130.66 134.99 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.165 -0.959 . . . . 0.0 108.711 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.438 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 10.6 p-10 -126.4 41.83 3.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.961 -1.087 . . . . 0.0 109.669 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -144.86 43.29 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.099 -1.0 . . . . 0.0 109.329 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.6 mp -92.82 178.83 5.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.39 156.38 29.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.102 -0.999 . . . . 0.0 109.117 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.78 38.83 1.46 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 109.96 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.58 36.42 0.57 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.866 -1.146 . . . . 0.0 110.06 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.901 HD12 ' CD2' ' A' ' 77' ' ' TYR . 9.1 mm -96.15 151.68 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.917 -1.115 . . . . 0.0 109.644 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 177.55 8.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.564 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -79.15 -40.74 30.16 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.913 -1.117 . . . . 0.0 109.102 179.566 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.44 -14.32 60.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.175 -0.953 . . . . 0.0 109.429 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.644 ' HB2' HG22 ' A' ' 20' ' ' ILE . 29.7 mt-10 -83.08 -41.98 17.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.609 -1.307 . . . . 0.0 110.027 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 29' ' ' LEU . 10.1 mt -70.15 -35.64 74.18 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.141 -179.622 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -77.29 -30.1 54.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.857 -1.152 . . . . 0.0 110.509 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.4 -24.62 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.691 -1.256 . . . . 0.0 110.628 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 23.2 t -87.62 -36.35 17.54 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.515 -1.365 . . . . 0.0 110.471 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.8 mt -72.2 -43.51 64.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.822 -1.174 . . . . 0.0 109.432 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -66.03 -25.81 67.23 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.137 -0.977 . . . . 0.0 110.418 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -77.7 -68.33 0.64 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.598 -1.314 . . . . 0.0 110.042 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -52.08 -56.26 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 111.225 -178.818 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 40.3 m-85 -58.19 -43.42 87.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.816 -1.177 . . . . 0.0 110.812 -178.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.441 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.7 p -53.91 -35.89 62.13 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.869 -1.145 . . . . 0.0 110.586 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -54.75 -47.42 73.87 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.704 -1.248 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CE1' ' CB ' ' A' ' 70' ' ' SER . 92.4 m-85 -58.88 -58.52 8.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.074 -1.016 . . . . 0.0 109.553 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.95 -157.43 7.71 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -92.95 133.89 35.66 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.106 -1.232 . . . . 0.0 109.336 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 34' ' ' SER . 54.7 mt -94.52 138.35 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.037 -1.039 . . . . 0.0 109.412 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 ' CB ' ' A' ' 59' ' ' LYS . 2.7 tp -87.77 -41.91 12.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.143 -0.973 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -170.83 147.64 2.77 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.128 -0.982 . . . . 0.0 110.382 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.608 HG12 HG13 ' A' ' 56' ' ' VAL . 74.2 mt -125.02 131.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.114 -0.991 . . . . 0.0 109.223 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.0 mp -105.86 131.62 52.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.919 -1.113 . . . . 0.0 109.877 -179.628 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.0 123.88 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.165 -0.96 . . . . 0.0 109.279 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 t -125.71 160.51 29.56 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.781 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -127.83 36.06 4.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -87.14 174.82 8.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.848 -1.157 . . . . 0.0 109.093 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.58 -40.12 84.83 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.996 -1.065 . . . . 0.0 109.741 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.15 -39.4 71.97 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.033 -1.042 . . . . 0.0 109.797 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.8 mmm -112.1 61.89 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.422 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.95 38.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.936 -1.103 . . . . 0.0 109.479 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.41 38.34 95.58 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -156.91 151.09 25.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.003 -1.292 . . . . 0.0 109.799 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.27 152.01 38.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 34.4 m-85 -111.52 143.04 43.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.12 -0.987 . . . . 0.0 109.191 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 HG12 ' A' ' 42' ' ' ILE . 10.3 t -132.0 127.84 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.895 -1.128 . . . . 0.0 108.867 179.176 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' SER . 39.6 mt -114.99 157.61 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.145 -0.972 . . . . 0.0 108.764 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -130.9 149.67 52.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.005 -1.06 . . . . 0.0 109.219 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.53 ' CB ' HD13 ' A' ' 40' ' ' LEU . 8.5 tttp -49.45 -61.79 1.9 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 120.948 -1.095 . . . . 0.0 108.756 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.41 158.74 15.3 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 177.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 9' ' ' HIS . 4.6 p -90.27 19.69 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.782 -1.199 . . . . 0.0 112.539 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.38 -38.36 11.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.478 -1.389 . . . . 0.0 109.261 178.764 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -62.55 -32.94 73.98 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.902 -1.123 . . . . 0.0 110.176 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -69.34 -32.79 72.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.763 -1.211 . . . . 0.0 108.654 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.471 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 27.4 m -64.91 -39.87 94.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.019 . . . . 0.0 109.713 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -67.83 -34.3 76.47 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.965 -1.084 . . . . 0.0 110.127 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.775 -1.203 . . . . 0.0 110.824 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -53.82 8.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.694 -1.254 . . . . 0.0 110.175 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -5.18 48.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.978 -1.076 . . . . 0.0 111.868 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.413 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 44.1 m -94.43 -39.98 10.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.289 -1.507 . . . . 0.0 109.852 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 20.7 mmm -109.48 38.8 2.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.957 -1.089 . . . . 0.0 109.757 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.77 103.18 0.19 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.159 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.35 64.6 2.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 4.6 m-85 -120.6 161.03 41.7 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.067 -1.255 . . . . 0.0 109.596 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.12 135.84 14.08 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.825 1.683 . . . . 0.0 110.791 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 6.7 t80 -122.51 -59.4 1.63 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 108.648 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.901 ' CD2' HD12 ' A' ' 20' ' ' ILE . 6.6 m-85 -125.38 67.94 1.14 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.086 -1.009 . . . . 0.0 108.834 179.071 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.74 42.4 8.13 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 109.564 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 150.4 1.39 Allowed Pre-proline 0 N--CA 1.499 2.022 0 O-C-N 121.016 -1.052 . . . . 0.0 110.067 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.32 147.66 23.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.813 1.675 . . . . 0.0 110.341 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.39 138.0 20.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.014 -1.053 . . . . 0.0 109.966 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 148.84 23.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.047 -1.033 . . . . 0.0 109.168 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -110.26 138.58 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.118 -0.989 . . . . 0.0 110.113 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -143.42 139.11 29.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -0.954 . . . . 0.0 108.747 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.471 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 12.7 m-85 -50.94 175.3 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.917 -1.114 . . . . 0.0 109.843 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -95.01 162.29 13.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.016 -1.053 . . . . 0.0 109.389 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -63.27 -50.15 71.28 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.7 p -113.42 179.53 3.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 0.0 109.419 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.07 -178.43 6.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.027 -1.046 . . . . 0.0 109.279 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.599 ' HB2' HD13 ' A' ' 57' ' ' ILE . 15.6 p -95.79 158.37 15.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.094 -1.004 . . . . 0.0 109.783 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.38 19.86 10.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.854 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 93' ' ' ILE . 34.7 pt -101.34 -36.72 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.479 -1.388 . . . . 0.0 110.465 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.899 0 O-C-N 120.555 -1.341 . . . . 0.0 109.145 178.517 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 110.282 -0.699 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.0 m120 -123.15 173.43 7.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.488 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' N ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -83.85 -41.84 17.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.108 -0.995 . . . . 0.0 109.079 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -96.54 148.92 22.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.144 -0.972 . . . . 0.0 109.271 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 85' ' ' TYR . 4.1 pt -116.26 145.77 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.994 -1.066 . . . . 0.0 109.222 179.347 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 67.4 t80 -113.0 119.09 36.72 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.409 -0.807 . . . . 0.0 109.262 -179.446 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -98.8 147.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.048 -1.033 . . . . 0.0 109.046 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -139.35 -179.97 6.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.006 -1.059 . . . . 0.0 109.648 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 59.19 41.47 20.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.983 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.473 HD21 ' SD ' ' A' ' 81' ' ' MET . 3.0 mt -95.41 179.59 5.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.067 -1.021 . . . . 0.0 109.473 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' HD11 ' A' ' 20' ' ' ILE . 8.1 t-20 -72.03 151.45 43.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.031 -1.043 . . . . 0.0 109.052 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.01 34.7 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.148 -0.97 . . . . 0.0 110.374 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -148.0 33.27 0.83 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.779 -1.201 . . . . 0.0 110.281 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.874 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.9 mm -99.24 154.13 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.846 -1.159 . . . . 0.0 109.91 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -85.47 -177.61 6.49 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -86.62 -40.09 15.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.889 -1.132 . . . . 0.0 109.133 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.12 -29.6 57.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 108.456 178.236 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.5 tt0 -70.21 -46.44 64.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.877 -1.139 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.5 -31.61 71.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.908 -1.12 . . . . 0.0 110.455 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -73.82 -24.43 59.8 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.219 . . . . 0.0 110.597 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -78.73 -36.88 42.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 85.1 p -69.83 -38.56 76.58 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.881 -1.137 . . . . 0.0 109.972 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 42' ' ' ILE . 6.9 mt -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.86 -1.15 . . . . 0.0 110.067 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -68.32 -18.48 64.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.865 -1.147 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.71 -51.94 4.86 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.434 -1.416 . . . . 0.0 110.147 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.94 -55.24 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.98 -1.075 . . . . 0.0 110.731 -179.078 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 64.2 m-85 -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.899 -1.126 . . . . 0.0 110.703 -178.872 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.9 t -61.64 -33.51 74.06 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.84 -1.163 . . . . 0.0 110.367 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -49.7 -38.3 32.55 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.639 -1.288 . . . . 0.0 110.262 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HD1' HD21 ' A' ' 66' ' ' ASN . 80.8 m-85 -74.92 -52.21 11.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.927 -1.108 . . . . 0.0 109.383 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 -163.88 11.21 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -89.34 146.43 24.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.994 -1.298 . . . . 0.0 109.38 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 34' ' ' SER . 65.4 mt -108.99 117.15 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.011 -1.056 . . . . 0.0 109.564 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 92' ' ' ILE . 95.9 mt -60.9 -40.31 92.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.631 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.83 146.04 0.24 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.976 -1.078 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 29' ' ' LEU . 26.4 mt -110.91 125.86 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.034 -1.041 . . . . 0.0 109.473 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.55 131.05 45.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.02 -1.05 . . . . 0.0 109.6 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.77 131.69 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.035 . . . . 0.0 109.327 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' A' ' 50' ' ' MET . 29.4 t -110.06 146.99 34.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.91 -1.119 . . . . 0.0 109.619 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.74 38.31 4.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 109.85 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -107.22 163.2 13.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.946 -1.096 . . . . 0.0 109.283 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.83 -41.98 88.19 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.994 -1.066 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.43 -40.77 95.64 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.052 -1.03 . . . . 0.0 109.549 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HB2' ' OG ' ' A' ' 45' ' ' SER . 87.2 mmm -109.67 60.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.387 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.44 143.4 35.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.23 38.84 88.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' OE1' ' CE2' ' A' ' 55' ' ' PHE . 4.9 pp0? -155.07 164.51 38.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.988 -1.301 . . . . 0.0 109.921 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.11 11.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.953 -1.092 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CE2' ' OE1' ' A' ' 53' ' ' GLN . 74.4 m-85 -138.84 135.9 35.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.051 -1.031 . . . . 0.0 109.096 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -126.62 126.17 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.888 -1.133 . . . . 0.0 109.991 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HD11 ' A' ' 92' ' ' ILE . 40.3 mt -99.43 118.22 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.077 -1.014 . . . . 0.0 108.942 179.426 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m-85 -98.28 143.57 28.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.072 -1.018 . . . . 0.0 109.366 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -55.23 -40.81 71.29 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.993 -1.067 . . . . 0.0 109.407 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.19 150.92 44.65 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.158 -0.964 . . . . 0.0 109.319 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 10.1 p -62.16 -32.27 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.997 -1.064 . . . . 0.0 109.995 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.8 m -62.98 -35.19 79.35 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.784 -1.197 . . . . 0.0 109.913 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.4 m -58.73 -33.73 70.56 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.774 -1.204 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.21 -29.24 48.23 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.709 -1.245 . . . . 0.0 109.747 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 32.5 m -63.86 -39.66 94.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.866 -1.146 . . . . 0.0 109.859 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.436 HD21 ' HD1' ' A' ' 36' ' ' PHE . 2.3 t30 -76.8 -39.22 52.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.964 -1.085 . . . . 0.0 109.761 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.63 -16.77 64.33 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.926 -1.109 . . . . 0.0 110.975 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -37.03 12.23 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.484 -1.385 . . . . 0.0 110.186 -179.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -68.67 -35.63 77.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.831 -1.168 . . . . 0.0 110.205 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 t -85.39 -27.58 25.72 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.9 -1.125 . . . . 0.0 110.852 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mtp -101.81 35.61 2.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.59 -1.319 . . . . 0.0 110.07 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -76.82 92.7 3.63 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.937 -1.102 . . . . 0.0 108.999 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 73.11 1.21 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.588 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -119.33 161.01 39.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.278 . . . . 0.0 109.625 -179.737 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.8 Cg_endo -78.24 134.3 12.72 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.977 1.784 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -147.03 119.22 8.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.3 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.874 ' CD2' HD12 ' A' ' 20' ' ' ILE . 67.0 m-85 71.08 -84.08 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 O-C-N 122.163 -0.336 . . . . 0.0 110.675 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.52 44.37 0.53 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.507 -1.371 . . . . 0.0 110.459 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.64 152.16 0.56 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 120.902 -1.123 . . . . 0.0 110.151 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -76.94 147.17 26.67 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.792 1.661 . . . . 0.0 110.045 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -148.24 129.36 14.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.282 -179.652 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.24 139.04 31.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.0 108.488 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.61 136.85 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.042 . . . . 0.0 110.255 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 135.67 53.93 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -50.61 157.6 0.74 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.865 -1.147 . . . . 0.0 109.721 -179.433 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 162.46 28.07 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 0.0 109.534 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -77.24 -41.52 40.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.035 -1.04 . . . . 0.0 109.419 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -119.43 177.88 4.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.021 -1.05 . . . . 0.0 109.888 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -88.21 -174.81 4.8 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.139 -0.976 . . . . 0.0 109.471 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.72 154.24 20.09 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.997 -1.065 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -33.12 58.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 109.766 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 93' ' ' ILE . 1.2 pp -56.46 -26.11 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.859 -1.15 . . . . 0.0 109.512 178.915 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 O-C-N 120.43 -1.419 . . . . 0.0 107.21 177.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.536 0.581 0 N-CA-C 110.164 -0.745 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 3.6 m120 -119.85 -74.04 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.545 ' NE2' HG21 ' A' ' 93' ' ' ILE . 2.3 t60 172.41 -46.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.287 -0.883 . . . . 0.0 108.677 -179.472 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.6 m -111.32 158.76 18.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.008 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.527 HD12 HG21 ' A' ' 83' ' ' ILE . 44.8 pt -117.64 159.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 12.3 t80 -139.18 107.12 5.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.908 . . . . 0.0 109.556 -178.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 54' ' ' ALA . 8.8 mt -76.19 150.04 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.032 -1.042 . . . . 0.0 108.727 178.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 19.6 t-20 -140.61 159.32 42.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.96 -1.087 . . . . 0.0 109.509 -179.616 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 68.78 46.46 0.91 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.906 -1.121 . . . . 0.0 109.112 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 53' ' ' GLN . 1.1 mt -92.52 -179.52 5.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.195 -0.941 . . . . 0.0 109.266 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -79.73 149.76 31.05 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.123 -0.986 . . . . 0.0 109.271 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -101.14 34.55 2.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.105 -0.997 . . . . 0.0 110.279 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -138.34 29.34 2.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.735 -1.228 . . . . 0.0 109.933 179.298 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.931 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.3 mm -99.31 152.42 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.879 -1.138 . . . . 0.0 109.883 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -86.99 -176.94 5.92 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.067 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -86.98 -39.94 15.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.846 -1.159 . . . . 0.0 109.188 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.16 -24.32 57.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 108.938 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 10.1 tt0 -78.17 -45.83 22.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.801 -1.187 . . . . 0.0 110.003 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.815 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -68.21 -28.32 67.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.997 -1.065 . . . . 0.0 110.815 -179.511 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -80.1 -30.86 39.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.668 -1.27 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -22.94 49.81 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.627 -1.296 . . . . 0.0 110.424 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 49.5 m -86.24 -39.41 16.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.629 -1.294 . . . . 0.0 109.992 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.49 -42.46 71.33 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.945 -1.097 . . . . 0.0 109.545 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' A' ' 34' ' ' SER . 6.2 t-80 -62.54 -28.69 70.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.176 -0.952 . . . . 0.0 110.466 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.87 -69.73 0.55 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.622 -1.299 . . . . 0.0 109.783 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.415 HD13 ' CE ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -46.51 -59.24 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.073 -1.017 . . . . 0.0 112.051 -178.687 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 14.0 m-85 -61.28 -32.17 72.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.657 -1.277 . . . . 0.0 111.463 -178.669 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 39' ' ' ILE . 31.8 p -66.37 -27.68 68.05 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.717 -1.239 . . . . 0.0 111.8 -178.538 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 1.9 ptm180 -49.47 -31.58 10.28 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.493 -1.38 . . . . 0.0 110.992 -179.079 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' ND2' ' A' ' 66' ' ' ASN . 11.0 m-85 -73.26 -55.56 6.26 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.711 -1.243 . . . . 0.0 109.375 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.84 -141.45 3.23 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -98.5 142.78 29.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.96 -1.318 . . . . 0.0 109.378 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 34' ' ' SER . 59.4 mt -100.76 117.12 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.051 -1.031 . . . . 0.0 109.533 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 92' ' ' ILE . 2.8 mp -52.96 -66.9 0.3 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.96 -1.087 . . . . 0.0 109.674 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -159.51 141.95 13.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.148 -0.97 . . . . 0.0 110.068 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.9 mt -113.18 142.62 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.028 -1.045 . . . . 0.0 109.456 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.32 138.24 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.03 -1.044 . . . . 0.0 109.682 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.7 m -141.64 121.7 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.266 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -136.2 142.28 44.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.011 -1.055 . . . . 0.0 109.203 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 47' ' ' SER . 25.4 mtt180 -87.35 -76.22 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 6.3 p 48.75 -177.48 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.884 -1.135 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.39 -40.28 18.02 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.409 -1.432 . . . . 0.0 109.963 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -74.75 -37.89 62.38 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.999 -1.063 . . . . 0.0 110.255 -179.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mtp -95.92 52.3 1.31 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.917 -1.114 . . . . 0.0 109.752 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 49.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.958 -1.089 . . . . 0.0 109.435 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.94 57.66 0.01 OUTLIER Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.631 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.9 pt20 -176.59 172.6 2.14 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.152 -1.205 . . . . 0.0 110.36 -179.603 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -158.2 176.2 12.79 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.754 -1.216 . . . . 0.0 110.392 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.68 145.52 48.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.007 -1.058 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 58' ' ' PHE . 38.7 t -142.53 121.42 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.819 -1.176 . . . . 0.0 109.652 179.353 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' CD1' HD13 ' A' ' 92' ' ' ILE . 51.9 mt -99.76 126.29 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 120.806 -1.184 . . . . 0.0 108.427 179.322 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 56' ' ' VAL . 49.9 m-85 -107.73 152.1 24.8 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.124 -0.985 . . . . 0.0 109.337 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -49.77 110.25 0.37 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.274 -0.891 . . . . 0.0 109.234 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 71.72 -173.16 0.16 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.282 -0.886 . . . . 0.0 109.079 -178.859 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.428 HG22 ' ND1' ' A' ' 9' ' ' HIS . 11.9 t -94.93 -32.53 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.976 -1.077 . . . . 0.0 110.862 -179.18 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 p -58.88 -38.13 78.13 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.833 -1.167 . . . . 0.0 110.377 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t -59.83 -35.9 75.69 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.847 -1.158 . . . . 0.0 110.43 -179.408 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.92 62.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.757 -1.214 . . . . 0.0 109.499 179.505 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.456 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 3.6 m -62.57 -40.35 96.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 109.361 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.528 ' ND2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -71.03 -39.37 72.37 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 179.781 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.08 -18.91 65.65 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.949 -1.094 . . . . 0.0 110.991 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.39 -55.73 3.76 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.45 -1.406 . . . . 0.0 110.025 -179.429 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -53.85 -36.58 62.73 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.003 -1.061 . . . . 0.0 110.426 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -77.09 -33.87 56.94 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.876 -1.14 . . . . 0.0 110.295 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 32' ' ' ILE . 13.7 mtp -102.3 35.26 2.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.187 . . . . 0.0 110.113 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -73.06 109.84 6.89 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.889 -1.132 . . . . 0.0 108.94 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.83 65.55 3.16 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 -179.652 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -105.22 152.56 39.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.144 -1.209 . . . . 0.0 109.683 -179.614 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 74' ' ' PHE . 36.8 Cg_endo -81.05 105.78 1.69 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 121.895 1.73 . . . . 0.0 110.345 179.84 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -116.12 124.56 50.67 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.005 -1.059 . . . . 0.0 108.562 179.61 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.931 ' CD2' HD12 ' A' ' 20' ' ' ILE . 77.9 m-85 57.15 38.07 28.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.029 . . . . 0.0 109.731 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 61.25 63.47 1.22 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.917 -1.114 . . . . 0.0 110.355 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.86 142.81 1.6 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.797 -1.19 . . . . 0.0 110.0 179.434 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.54 111.43 3.01 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.409 1.406 . . . . 0.0 109.614 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -125.74 139.33 53.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.003 -1.06 . . . . 0.0 110.536 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mtm105 -119.0 147.05 44.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 108.66 179.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 11' ' ' ILE . 3.4 mp -107.45 140.76 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.0 -1.062 . . . . 0.0 110.278 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -131.25 134.58 46.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 24.3 m-85 -49.91 122.08 6.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.933 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 166.27 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.187 -0.945 . . . . 0.0 110.449 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.44 -52.91 22.3 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.993 -1.067 . . . . 0.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 p -105.17 179.55 4.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.078 -1.014 . . . . 0.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -86.82 -174.09 4.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.041 -1.037 . . . . 0.0 109.182 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -91.33 160.04 15.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.354 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -95.94 19.11 12.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CD1' HD23 ' A' ' 40' ' ' LEU . 7.6 pt -97.41 -43.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.464 -1.398 . . . . 0.0 109.293 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.558 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.213 0 O-C-N 121.03 -1.044 . . . . 0.0 109.75 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.673 0 N-CA-C 110.482 -0.622 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -118.31 -65.84 1.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.49 -43.85 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.0 m -113.6 116.98 30.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.38 -0.825 . . . . 0.0 109.424 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.929 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.2 pp -71.75 177.1 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 47.2 t80 -146.79 154.39 41.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.055 -1.028 . . . . 0.0 109.357 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 16' ' ' LEU . 2.7 mp -137.09 138.22 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.181 -0.95 . . . . 0.0 109.152 179.76 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.86 -175.88 4.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 109.485 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 61.38 40.87 13.63 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 109.501 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 HG22 ' A' ' 13' ' ' ILE . 2.9 mp -92.75 178.03 5.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 109.332 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.72 ' OD1' HD11 ' A' ' 20' ' ' ILE . 50.3 p-10 -85.39 155.05 21.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.977 -1.077 . . . . 0.0 109.428 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -94.06 58.41 2.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 109.545 -179.842 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -150.89 36.32 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.967 -1.083 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.762 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.1 mm -93.37 155.62 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.961 -1.087 . . . . 0.0 109.625 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -105.78 27.87 8.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.18 -0.95 . . . . 0.0 111.202 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 72.69 -80.47 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 121.467 -0.771 . . . . 0.0 111.603 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.61 -26.71 63.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.391 -1.443 . . . . 0.0 108.673 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 19.4 tt0 -64.96 -42.85 94.23 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.968 -1.083 . . . . 0.0 109.838 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.1 tp -67.49 -28.75 68.11 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.837 -1.164 . . . . 0.0 111.152 -179.478 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -79.02 -23.5 44.29 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.67 -1.269 . . . . 0.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.4 -31.49 33.2 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.544 -1.348 . . . . 0.0 109.917 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.3 m -79.18 -38.84 34.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.771 -1.206 . . . . 0.0 110.087 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.69 -51.68 18.34 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.91 -1.119 . . . . 0.0 109.502 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CA ' HD11 ' A' ' 42' ' ' ILE . 5.5 t-80 -54.42 -27.65 38.46 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.133 -0.98 . . . . 0.0 110.682 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.56 -70.38 0.53 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.66 -1.275 . . . . 0.0 110.278 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -58.39 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.955 -1.091 . . . . 0.0 112.567 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 26.4 m-85 -58.87 -36.02 73.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.746 -1.221 . . . . 0.0 111.253 -178.437 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.417 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.8 t -61.59 -34.53 75.77 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.767 -1.208 . . . . 0.0 110.551 -179.199 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -45.64 -32.38 2.35 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.917 -1.114 . . . . 0.0 111.881 -178.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 m-85 -96.34 -39.62 9.53 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.749 -1.219 . . . . 0.0 110.784 -178.289 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -145.99 -172.57 16.46 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.424 -1.37 . . . . 0.0 110.04 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -92.22 140.7 29.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.127 -1.22 . . . . 0.0 109.203 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 34' ' ' SER . 48.6 mt -104.24 134.79 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.004 -1.06 . . . . 0.0 109.295 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.67 -40.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.979 -1.075 . . . . 0.0 109.608 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.85 156.65 1.1 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.105 -0.997 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.7 mt -122.86 141.73 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 109.192 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.9 130.27 55.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.998 -1.064 . . . . 0.0 109.83 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.66 121.4 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.27 -178.6 3.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.981 -1.074 . . . . 0.0 109.652 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -142.82 36.17 1.42 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 0.0 110.14 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 p -95.31 177.04 5.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.84 -1.163 . . . . 0.0 108.954 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.41 -40.84 92.43 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.923 -1.11 . . . . 0.0 110.124 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -74.52 -38.91 62.68 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.927 -1.108 . . . . 0.0 109.863 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 58.48 2.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.28 120.09 41.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.987 -1.071 . . . . 0.0 109.391 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.91 44.04 47.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -162.03 141.01 9.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.265 . . . . 0.0 110.071 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.87 -175.75 4.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.934 -1.104 . . . . 0.0 110.063 -179.755 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 36.7 m-85 -140.27 152.47 45.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.963 -1.086 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.691 ' O ' HG23 ' A' ' 10' ' ' THR . 16.1 t -134.84 133.34 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.999 -1.063 . . . . 0.0 109.197 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 92' ' ' ILE . 17.0 mt -105.92 143.84 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.028 -1.045 . . . . 0.0 109.117 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.901 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 92.5 m-85 -127.56 140.94 51.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.991 -1.068 . . . . 0.0 109.814 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.49 112.2 0.95 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.11 -0.993 . . . . 0.0 110.036 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.72 144.04 0.05 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.221 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.6 p -68.69 97.78 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 108.836 179.619 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 -50.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -60.77 -37.56 82.29 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.167 -0.958 . . . . 0.0 108.762 179.002 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.929 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.97 -29.5 63.11 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.868 -1.145 . . . . 0.0 109.291 178.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.8 m -58.53 -42.54 88.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.968 -1.083 . . . . 0.0 109.69 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.5 -41.87 62.53 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.057 -1.027 . . . . 0.0 109.718 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.16 -27.09 43.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.52 -53.45 4.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.57 -1.331 . . . . 0.0 110.261 -179.082 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -49.68 -30.24 8.8 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.907 -1.121 . . . . 0.0 111.266 -179.3 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -30.51 14.97 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.772 -1.205 . . . . 0.0 110.943 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 mtp -100.89 33.7 2.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.675 -1.265 . . . . 0.0 110.463 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.58 97.68 0.62 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.846 -1.159 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.03 73.64 0.9 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.45 170.36 6.24 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.27 . . . . 0.0 109.818 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.51 146.0 21.31 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 121.935 1.757 . . . . 0.0 110.604 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -165.51 117.48 1.12 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.075 -1.016 . . . . 0.0 109.625 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD2' HD12 ' A' ' 20' ' ' ILE . 65.8 m-85 58.9 41.36 21.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.077 -1.015 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.7 t70 57.66 63.05 1.92 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.064 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -179.87 142.91 0.36 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.0 110.252 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.52 134.29 12.33 Favored 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.656 1.57 . . . . 0.0 109.875 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 13' ' ' ILE . 1.8 ptt? -143.39 130.11 20.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.022 -1.049 . . . . 0.0 110.309 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 148.08 22.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.118 -0.989 . . . . 0.0 108.586 179.244 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.4 135.29 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.098 -1.001 . . . . 0.0 110.519 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -134.1 140.63 46.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 23.6 m-85 -52.13 176.46 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.791 -1.193 . . . . 0.0 109.76 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -84.66 178.78 7.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.041 -1.037 . . . . 0.0 109.326 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -84.43 -49.3 8.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.021 -1.049 . . . . 0.0 109.184 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 p -114.81 179.52 3.93 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.112 -0.993 . . . . 0.0 109.358 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -179.79 4.69 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.041 -1.037 . . . . 0.0 109.187 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -89.76 155.83 18.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 109.36 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -32.93 22.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.043 -1.036 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pp -56.94 -24.5 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.711 -1.243 . . . . 0.0 109.657 178.816 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.645 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.499 1.976 0 O-C-N 120.425 -1.422 . . . . 0.0 107.364 177.886 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 110.589 -0.581 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m120 -147.39 170.75 16.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.631 -179.891 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -94.0 -40.22 10.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.103 -0.998 . . . . 0.0 109.733 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.429 ' OG1' ' HB3' ' A' ' 90' ' ' SER . 59.5 m -99.84 124.79 45.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.018 -1.051 . . . . 0.0 109.434 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.403 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 3.6 pt -88.1 164.43 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.971 -1.08 . . . . 0.0 109.23 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -131.99 133.88 44.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 -179.539 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.29 147.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.171 179.682 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 16' ' ' LEU . 17.2 p-10 -140.34 -175.14 4.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.968 -1.083 . . . . 0.0 109.349 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.3 t30 61.6 43.49 9.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 HG22 ' A' ' 13' ' ' ILE . 11.0 mp -96.32 -179.84 4.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.097 -1.002 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.8 m120 -80.22 152.13 29.29 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.061 -1.024 . . . . 0.0 109.336 179.818 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.39 41.12 1.35 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.0 109.506 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -153.07 38.07 0.5 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.958 -1.088 . . . . 0.0 109.917 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.689 HD13 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -111.59 156.78 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.058 -1.026 . . . . 0.0 109.775 -179.672 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 20' ' ' ILE . 34.0 mtpt -90.98 -178.93 5.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.156 179.055 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -82.48 -35.86 27.04 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.052 . . . . 0.0 109.908 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.08 -12.37 60.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.986 -1.071 . . . . 0.0 109.915 179.256 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -93.67 -44.38 8.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.611 -1.306 . . . . 0.0 110.083 -179.74 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 20' ' ' ILE . 8.2 tp -71.18 -32.44 68.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.001 -1.062 . . . . 0.0 110.527 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -77.65 -27.36 50.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.757 -1.214 . . . . 0.0 110.261 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -31.0 57.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.524 -1.36 . . . . 0.0 110.135 179.766 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -36.9 30.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.742 -1.224 . . . . 0.0 110.443 -179.436 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 89.1 mt -69.91 -42.72 72.98 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.798 -1.189 . . . . 0.0 109.571 -179.651 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 11.4 t-80 -66.79 -27.6 67.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.206 -0.934 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.76 -66.97 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.698 -1.251 . . . . 0.0 110.053 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -56.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 0.0 111.306 -178.635 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 50.7 m-85 -59.33 -37.39 77.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.827 -1.171 . . . . 0.0 110.999 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 28.5 p -61.2 -33.72 73.92 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.803 -1.185 . . . . 0.0 110.8 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -50.78 -37.36 41.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.656 -1.278 . . . . 0.0 110.404 -179.278 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.1 -55.03 11.97 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.93 -1.106 . . . . 0.0 109.707 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.11 -128.28 1.94 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -123.42 139.08 54.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.119 -1.224 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.446 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 63.5 mt -105.77 129.58 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.998 -1.064 . . . . 0.0 109.513 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 92' ' ' ILE . 3.6 mp -75.7 -39.92 56.6 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.101 -1.0 . . . . 0.0 109.569 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.34 162.62 2.94 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.118 -0.989 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 55' ' ' PHE . 36.8 mt -132.92 132.62 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.055 -1.028 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.43 115.22 30.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.046 -1.034 . . . . 0.0 109.382 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.8 159.87 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.12 -0.988 . . . . 0.0 109.036 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 152.35 50.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.002 -1.061 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -148.93 35.19 0.75 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.03 -1.044 . . . . 0.0 110.031 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p -111.3 172.11 7.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 108.863 179.659 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.15 -57.73 11.27 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.832 -1.167 . . . . 0.0 109.602 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -55.95 -41.49 74.76 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.968 -1.082 . . . . 0.0 109.562 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 mtt -105.84 59.93 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 130.33 53.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 39.65 49.09 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.71 146.51 25.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.045 -1.268 . . . . 0.0 109.783 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.68 172.87 12.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.08 -1.012 . . . . 0.0 109.886 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.8 m-85 -133.59 138.75 46.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.066 -1.021 . . . . 0.0 108.933 179.779 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 59.5 t -124.02 138.96 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.874 -1.141 . . . . 0.0 109.78 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HG12 ' A' ' 92' ' ' ILE . 6.5 mt -113.93 123.17 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.94 -1.1 . . . . 0.0 108.959 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 3.9 m-85 -100.58 153.85 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.03 . . . . 0.0 109.46 -179.765 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' HD13 ' A' ' 40' ' ' LEU . 20.9 ttmt -61.3 -41.06 96.34 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 109.113 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -124.75 152.82 43.32 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 8' ' ' ASN . 46.7 t -61.41 -34.49 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.143 -0.973 . . . . 0.0 110.078 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -57.99 -36.17 72.26 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.838 -1.164 . . . . 0.0 110.38 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.1 m -63.55 -36.96 85.52 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.749 -1.22 . . . . 0.0 110.218 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.59 -22.91 58.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.914 -1.117 . . . . 0.0 110.048 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.465 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 21.7 m -71.43 -42.3 68.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.78 -1.2 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -67.35 -42.26 83.8 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.109 -0.995 . . . . 0.0 109.084 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -58.57 -35.39 72.31 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.076 -1.015 . . . . 0.0 109.798 179.824 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -66.48 -45.54 79.29 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.816 -1.177 . . . . 0.0 109.518 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 8.92 25.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.062 -1.024 . . . . 0.0 111.745 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t -99.16 -43.68 6.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.377 -1.452 . . . . 0.0 109.802 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -107.1 37.89 2.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.003 -1.061 . . . . 0.0 109.815 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.44 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.887 -1.133 . . . . 0.0 109.172 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.05 64.5 3.23 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.39 167.83 11.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.025 -1.28 . . . . 0.0 109.788 -179.4 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 132.37 11.53 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 121.847 1.698 . . . . 0.0 110.425 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 19.0 t80 -127.3 -60.8 1.18 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.991 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.559 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.9 m-85 -124.53 68.94 1.09 Allowed 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.078 -1.014 . . . . 0.0 109.066 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.44 41.7 18.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.001 -1.062 . . . . 0.0 109.433 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -177.65 154.15 1.01 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.083 -1.011 . . . . 0.0 109.887 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.81 149.9 26.71 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 C-N-CA 121.703 1.602 . . . . 0.0 110.007 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.6 139.15 18.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.936 -1.102 . . . . 0.0 110.397 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.92 143.24 34.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 108.541 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.33 137.39 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.993 -1.067 . . . . 0.0 110.465 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.72 134.38 47.59 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.884 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -50.06 157.24 0.66 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.901 -1.124 . . . . 0.0 109.851 -179.389 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.91 169.03 18.07 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.522 -179.738 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -90.67 -40.85 11.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.189 -0.945 . . . . 0.0 109.235 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.6 p -106.97 178.97 4.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.313 179.863 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -109.75 170.69 7.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.957 -1.089 . . . . 0.0 109.498 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.429 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 2.4 p -99.46 161.11 13.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.01 . . . . 0.0 109.402 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.27 0.56 34.53 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.075 -1.016 . . . . 0.0 111.06 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.874 HG12 HD13 ' A' ' 57' ' ' ILE . 2.0 pp -63.76 -30.16 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.49 -1.381 . . . . 0.0 107.641 177.719 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.686 HD13 ' CD1' ' A' ' 92' ' ' ILE . 3.2 mm . . . . . 0 N--CA 1.502 2.156 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 O4'-C1'-N19 110.919 2.719 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.916 0 O4'-C1'-N19 111.022 2.822 . 0.508 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.039 2.839 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.524 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.081 0 O4'-C1'-N19 111.196 2.996 . 0.119 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.421 " O4'" " O2'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.16 0 O4'-C1'-N19 111.392 3.192 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.464 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C3'-C2'-C1' 104.095 2.884 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.537 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C3'-C2'-C1' 104.485 3.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.537 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.241 0 O4'-C1'-N19 111.518 3.318 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 O4'-C1'-N19 110.915 2.715 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.506 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.924 2.724 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.506 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 111.109 2.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.175 2.972 . 0.283 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.992 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 110.85 2.65 . 0.839 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.014 2.814 . 0.609 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.411 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.181 2.981 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.411 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.033 0 O4'-C1'-N19 111.17 2.97 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.129 2.929 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.489 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.833 0 O4'-C1'-N19 110.911 2.711 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.548 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.307 3.107 . 0.287 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.816 0 O4'-C1'-N19 110.914 2.714 . 0.01 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 C5'-C4'-C3' 111.536 -2.642 . 0.227 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.468 ' C6 ' ' HE3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.928 0 O4'-C1'-N19 110.825 2.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C5 ' ' CD2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.435 1.766 0 O4'-C1'-N19 110.981 2.781 . 0.207 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.014 2.814 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.139 2.939 . 0.354 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.992 0 O4'-C1'-N19 111.517 3.317 . 0.463 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.524 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.931 0 O4'-C1'-N19 111.001 2.801 . 0.077 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.12 2.92 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C5'-C4'-C3' 111.631 -2.579 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.74 80.53 61.2 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.083 -1.011 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.3 126.68 7.81 Favored 'Trans proline' 0 C--N 1.322 -0.828 0 C-N-CA 121.849 1.699 . . . . 0.0 110.43 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -54.96 -38.52 67.88 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.009 -1.057 . . . . 0.0 109.772 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.09 104.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.455 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 150.66 66.95 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.5 145.4 20.87 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.772 1.648 . . . . 0.0 110.463 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -150.52 -177.6 6.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 -43.13 11.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.057 -1.027 . . . . 0.0 109.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 56' ' ' VAL . 44.8 m -105.86 142.03 36.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.097 -1.002 . . . . 0.0 108.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.863 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 1.5 pt -106.55 146.8 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.013 -1.054 . . . . 0.0 109.195 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 26.1 t80 -110.83 123.19 49.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.363 -0.835 . . . . 0.0 109.111 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 HG12 ' A' ' 83' ' ' ILE . 4.5 mt -106.87 135.69 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 108.995 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -130.4 -175.23 3.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.951 -1.093 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 63.88 41.57 6.62 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.989 -1.07 . . . . 0.0 109.529 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' GLN . 66.6 mt -100.19 -175.18 2.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.066 -1.021 . . . . 0.0 109.425 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.46 154.04 35.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.982 -1.074 . . . . 0.0 109.218 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -101.47 37.68 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.954 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -149.51 34.94 0.71 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.902 -1.124 . . . . 0.0 110.108 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.6 mm -98.81 150.75 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.837 -1.164 . . . . 0.0 109.86 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -84.24 -178.55 6.97 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -85.04 -38.5 19.1 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.915 -1.116 . . . . 0.0 109.518 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -22.81 52.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.129 -0.982 . . . . 0.0 109.256 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.5 mt-10 -80.08 -42.8 22.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.761 -1.212 . . . . 0.0 110.251 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.782 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -70.25 -36.4 74.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.147 . . . . 0.0 110.171 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.87 -30.69 64.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.853 -1.154 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -71.58 -33.35 68.97 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.753 -1.217 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 68.6 m -75.33 -38.84 59.98 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.735 -1.228 . . . . 0.0 110.007 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.5 mt -66.49 -34.74 78.6 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.853 -1.154 . . . . 0.0 110.166 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -76.18 -19.26 58.6 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.918 -1.114 . . . . 0.0 111.297 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.62 -39.41 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.441 -1.412 . . . . 0.0 110.297 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -82.59 -54.93 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 120.903 -1.123 . . . . 0.0 110.617 -179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 51.1 m-85 -59.78 -36.26 76.34 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.921 -1.112 . . . . 0.0 110.272 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.542 ' N ' HD11 ' A' ' 39' ' ' ILE . 82.9 p -61.5 -36.44 80.49 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.771 -1.206 . . . . 0.0 109.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -49.56 -38.56 31.62 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.762 -1.211 . . . . 0.0 110.154 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -71.93 -54.02 11.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.982 -1.074 . . . . 0.0 109.304 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.94 -162.36 10.43 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -91.11 135.63 33.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.002 -1.293 . . . . 0.0 109.338 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 34' ' ' SER . 39.7 mt -98.99 147.21 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.011 -1.056 . . . . 0.0 109.709 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 57' ' ' ILE . 50.0 mt -87.66 -53.87 4.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.088 -1.007 . . . . 0.0 109.31 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.57 166.08 29.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 29' ' ' LEU . 56.0 mt -136.13 131.27 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.102 -0.999 . . . . 0.0 108.897 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD22 " H1'" ' B' ' 45' ' ' ' C' . 2.9 mp -116.48 141.3 48.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.973 -1.079 . . . . 0.0 109.871 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.54 132.25 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.065 -1.022 . . . . 0.0 109.04 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.464 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.2 m -117.48 149.48 40.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 109.877 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -117.81 39.9 3.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.034 . . . . 0.0 109.742 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 178.36 6.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.983 -1.073 . . . . 0.0 109.078 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD21 " O2'" ' B' ' 40' ' ' ' U' . 7.1 tt -55.88 -56.83 15.92 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.845 -1.159 . . . . 0.0 109.413 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -59.08 -40.2 84.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.05 -1.032 . . . . 0.0 109.299 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.1 56.65 2.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.045 -1.035 . . . . 0.0 109.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 47.56 0.9 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.873 -1.142 . . . . 0.0 109.128 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.92 60.03 0.02 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.1 pt20 -173.73 167.41 4.46 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.09 -1.241 . . . . 0.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.7 8.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.859 -1.151 . . . . 0.0 110.149 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 31.6 m-85 -137.94 133.45 33.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.022 -1.049 . . . . 0.0 109.011 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 HG13 ' A' ' 11' ' ' ILE . 12.3 p -123.11 139.8 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.95 -1.094 . . . . 0.0 109.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.668 ' CG2' HD11 ' A' ' 93' ' ' ILE . 5.2 mp -101.8 126.02 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.998 -1.064 . . . . 0.0 108.614 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.4 152.33 18.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -54.03 -39.13 65.88 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.107 -0.996 . . . . 0.0 109.79 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.13 161.34 37.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.004 -1.06 . . . . 0.0 109.809 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.9 -37.51 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.1 -1.0 . . . . 0.0 109.717 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 p -62.42 -37.25 85.09 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.949 -1.094 . . . . 0.0 109.943 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -57.11 -33.16 67.06 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.875 -1.141 . . . . 0.0 110.608 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -78.52 -31.52 47.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.699 -1.25 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 17.8 m -60.88 -41.74 96.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.915 -1.116 . . . . 0.0 109.367 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -72.94 -40.9 65.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.973 -1.08 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.46 62.87 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.945 -1.097 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -89.36 -35.97 15.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.523 -1.361 . . . . 0.0 110.529 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -63.2 -37.42 87.17 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.876 -1.14 . . . . 0.0 110.155 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.44 -31.98 18.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.896 -1.127 . . . . 0.0 110.568 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -101.41 34.18 2.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.752 -1.217 . . . . 0.0 110.232 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -82.38 93.34 7.17 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.818 -1.176 . . . . 0.0 108.866 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.54 62.68 1.84 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.85 167.35 16.29 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.091 -1.24 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.0 137.38 15.56 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.855 1.703 . . . . 0.0 110.626 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 32' ' ' ILE . 9.0 t80 -126.19 -59.73 1.31 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.085 -1.009 . . . . 0.0 108.989 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 20' ' ' ILE . 4.0 m-85 -118.98 67.44 0.78 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.04 -1.038 . . . . 0.0 109.274 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.49 40.28 17.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.631 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -173.12 152.86 2.35 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 120.977 -1.077 . . . . 0.0 109.955 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.67 146.08 23.66 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.775 1.65 . . . . 0.0 110.472 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 135.77 13.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.072 -1.017 . . . . 0.0 110.193 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -97.63 146.65 25.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 108.847 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 68' ' ' LEU . 66.9 mt -108.28 137.21 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 110.334 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -123.13 134.99 54.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -50.33 157.61 0.68 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.861 -1.149 . . . . 0.0 110.008 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.78 17.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.993 -1.067 . . . . 0.0 109.691 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HE3' ' C6 ' ' B' ' 43' ' ' ' C' . 46.1 mttt -92.04 -39.69 11.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.135 -0.978 . . . . 0.0 109.677 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.1 p -117.38 179.65 3.99 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.974 -1.079 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 16.1 m-20 -88.97 -176.44 5.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.032 -1.043 . . . . 0.0 109.269 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.454 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.3 OUTLIER -95.06 148.34 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.049 -1.032 . . . . 0.0 109.669 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.8 -26.0 64.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.096 -1.002 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 57' ' ' ILE . 33.0 pt -67.09 -39.21 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.548 -1.345 . . . . 0.0 109.063 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.668 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.6 mp -64.97 -21.77 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 O-C-N 120.99 -1.069 . . . . 0.0 109.706 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.13 53.78 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.492 -1.38 . . . . 0.0 109.153 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -97.08 -15.47 20.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.986 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 92' ' ' ILE . 34.0 mmt -65.37 -35.75 81.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.73 -1.231 . . . . 0.0 109.612 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -47.5 -35.47 8.85 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 120.925 -1.11 . . . . 0.0 109.248 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 101' ' ' VAL . . . 157.9 77.99 0.02 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.0 t 38.67 46.29 0.99 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.679 -0.895 . . . . 0.0 111.28 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 23.7 t80 45.1 91.08 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.183 -0.948 . . . . 0.0 111.083 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 98' ' ' GLY . 97.2 t . . . . . 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 109.082 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 110.871 2.671 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.001 0 O4'-C1'-N19 111.083 2.883 . 0.035 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.409 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 110.901 2.701 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' C2 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 O4'-C1'-N19 110.925 2.725 . 0.139 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.071 0 O4'-C1'-N19 111.216 3.016 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.453 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C3'-C2'-C1' 103.913 2.682 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.46 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.448 3.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.46 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.18 0 O4'-C1'-N19 111.456 3.256 . 0.114 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 O4'-C1'-N19 110.971 2.771 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 C5'-C4'-C3' 111.646 -2.569 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.448 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.151 2.951 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C3'-C2'-C1' 104.319 3.133 . 0.333 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.448 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.706 -2.529 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.51 ' N2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 O4'-C1'-N19 110.869 2.669 . 0.818 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.51 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.117 0 O4'-C1'-N19 111.102 2.902 . 0.586 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.015 2.815 . 0.358 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 O4'-C1'-N19 111.108 2.908 . 0.23 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 C5'-C4'-C3' 111.643 -2.572 . 0.235 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.893 0 O4'-C1'-N19 111.102 2.902 . 0.346 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.633 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 O4'-C1'-N19 110.934 2.734 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.899 0 O4'-C1'-N19 110.818 2.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.453 ' N2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 110.876 2.676 . 0.066 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.456 ' C5 ' ' HE2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.948 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.888 2.688 . 0.064 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.535 " O2'" ' P ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.395 3.195 . 0.362 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.535 ' P ' " O2'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.103 0 O4'-C1'-N19 111.435 3.235 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C1'-N19 111.468 3.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.535 ' N2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.209 3.009 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.433 3.233 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 110.875 2.675 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.6 t -140.7 82.37 15.8 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.086 -1.009 . . . . 0.0 109.529 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.82 120.92 5.26 Favored 'Trans proline' 0 C--N 1.323 -0.798 0 C-N-CA 121.867 1.712 . . . . 0.0 110.431 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -88.88 -169.95 2.73 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 109.407 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.4 p -89.9 -174.23 4.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.081 -1.012 . . . . 0.0 109.029 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -57.47 154.63 22.94 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.014 -1.054 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.7 Cg_endo -77.74 145.09 22.61 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.808 1.672 . . . . 0.0 110.429 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG13 ' A' ' 61' ' ' VAL . 12.6 m120 -115.97 -179.76 3.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.121 -0.987 . . . . 0.0 109.561 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.59 -39.27 10.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 m -108.11 135.76 48.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.001 -1.062 . . . . 0.0 109.781 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.7 pp -94.11 176.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.98 . . . . 0.0 108.806 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 77.4 t80 -147.9 150.18 33.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.026 -1.046 . . . . 0.0 109.721 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.531 HD11 HD11 ' A' ' 11' ' ' ILE . 2.7 mp -138.67 144.06 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 0.0 108.797 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -143.86 -175.96 4.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 109.455 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.91 43.89 8.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 109.126 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 13' ' ' ILE . 23.1 mt -99.77 -171.16 2.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 0.0 109.179 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.53 153.1 33.72 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.972 -1.08 . . . . 0.0 109.363 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.5 42.09 1.28 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -148.17 34.91 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.474 HG12 ' CD2' ' A' ' 77' ' ' TYR . 3.6 mt -110.43 156.6 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.959 -1.088 . . . . 0.0 109.89 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -91.79 -179.95 5.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.977 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.56 -36.75 32.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.986 -1.071 . . . . 0.0 109.872 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -74.44 -20.83 59.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.095 -1.003 . . . . 0.0 109.598 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 39.5 mt-10 -81.54 -45.13 16.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.647 -1.283 . . . . 0.0 110.087 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.0 tp -71.21 -28.5 64.25 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.9 -1.125 . . . . 0.0 110.784 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -81.19 -29.56 34.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.694 -1.254 . . . . 0.0 109.918 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.35 -30.28 61.94 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.744 -1.223 . . . . 0.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -83.29 -38.27 22.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.622 -1.299 . . . . 0.0 110.213 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.51 -39.17 88.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.867 -1.146 . . . . 0.0 109.977 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' HA ' HD11 ' A' ' 42' ' ' ILE . 5.0 t-80 -66.6 -29.43 69.48 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.049 . . . . 0.0 110.743 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.31 -68.05 0.68 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.691 -1.256 . . . . 0.0 109.993 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -49.08 -55.75 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.911 -1.118 . . . . 0.0 111.371 -178.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 51.6 m-85 -61.91 -41.68 98.19 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.77 -1.206 . . . . 0.0 110.914 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -53.47 -33.45 54.25 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.739 -1.226 . . . . 0.0 110.49 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -54.52 -49.06 71.12 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.63 -1.294 . . . . 0.0 109.609 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -57.41 -59.01 5.79 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 -163.99 11.11 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.15 143.97 26.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.031 -1.276 . . . . 0.0 109.474 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 57' ' ' ILE . 60.2 mt -110.45 145.14 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.013 . . . . 0.0 109.65 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD13 ' CA ' ' A' ' 59' ' ' LYS . 3.1 mp -91.88 -41.22 10.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.143 -0.973 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -173.17 141.96 0.99 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.8 mt -111.2 131.45 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.006 -1.059 . . . . 0.0 109.326 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.37 127.76 46.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.995 -1.066 . . . . 0.0 109.715 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -133.69 127.5 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.095 -1.003 . . . . 0.0 109.152 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.453 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 3.2 t -119.55 159.59 24.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.961 -1.087 . . . . 0.0 109.696 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -124.31 32.03 5.61 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.041 -1.037 . . . . 0.0 110.247 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -94.0 174.91 6.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.83 -1.169 . . . . 0.0 108.787 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD21 " O2'" ' B' ' 40' ' ' ' U' . 2.1 tt -58.92 -54.78 43.25 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.84 -1.163 . . . . 0.0 109.651 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 5.7 mtpm? -56.03 -39.93 72.69 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.934 -1.104 . . . . 0.0 109.705 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -99.85 60.91 1.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.934 -1.104 . . . . 0.0 109.449 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HB3' ' N2 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -107.1 119.7 40.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.949 -1.095 . . . . 0.0 109.477 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 16' ' ' LEU . . . 67.42 40.08 91.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 49' ' ' LYS . 12.0 pt20 -157.04 143.31 18.05 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.952 -1.322 . . . . 0.0 109.921 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.28 165.66 35.02 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.992 -1.068 . . . . 0.0 110.286 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.5 m-85 -118.62 152.6 35.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.97 -1.081 . . . . 0.0 109.072 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.83 117.2 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.954 -1.091 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 92' ' ' ILE . 9.9 mt -89.32 136.19 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.914 -1.116 . . . . 0.0 109.054 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 88.0 m-85 -115.45 137.07 52.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 109.507 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' CA ' HD13 ' A' ' 40' ' ' LEU . 6.8 tmtt? -50.83 -38.38 48.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.949 -1.095 . . . . 0.0 109.889 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -120.48 150.83 40.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.044 -1.035 . . . . 0.0 109.555 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 8' ' ' ASN . 38.3 t -66.75 -38.13 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.811 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -61.24 -35.48 77.35 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.981 -1.074 . . . . 0.0 110.076 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -56.73 -37.13 70.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.79 -1.194 . . . . 0.0 110.094 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -76.38 -31.0 57.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.747 -1.221 . . . . 0.0 109.635 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.522 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -59.61 -40.01 86.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.99 -1.069 . . . . 0.0 109.735 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.16 -35.4 56.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.0 -1.063 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -72.8 -10.83 60.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.769 -1.207 . . . . 0.0 111.25 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.687 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.1 tt -100.19 -41.9 6.91 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.38 -1.45 . . . . 0.0 110.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -73.97 -42.57 60.27 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.76 -1.212 . . . . 0.0 109.856 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -38.02 89.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.07 -1.019 . . . . 0.0 109.752 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -104.67 36.29 2.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -82.31 93.76 7.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.916 -1.115 . . . . 0.0 109.075 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.13 53.56 2.48 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -125.1 164.92 28.79 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.128 -1.219 . . . . 0.0 109.648 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 129.76 9.82 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.798 1.665 . . . . 0.0 110.601 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 17.3 t80 -123.59 -59.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 0.0 108.929 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.53 65.66 0.65 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.014 -1.054 . . . . 0.0 109.096 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.11 40.44 25.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.075 . . . . 0.0 109.524 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.79 153.85 2.75 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.03 -1.043 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.52 143.01 21.29 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.783 1.656 . . . . 0.0 110.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.25 140.74 22.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.968 -1.083 . . . . 0.0 110.001 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -101.23 147.08 26.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.135 -0.978 . . . . 0.0 108.912 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.5 mt -109.5 139.33 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.018 -1.051 . . . . 0.0 110.077 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -140.62 140.0 34.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.059 -1.025 . . . . 0.0 108.831 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.522 ' OH ' HG23 ' A' ' 65' ' ' THR . 20.3 m-85 -51.0 176.1 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.804 -1.185 . . . . 0.0 109.974 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.85 164.97 12.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.995 -1.066 . . . . 0.0 109.508 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' HE2' ' C5 ' ' B' ' 43' ' ' ' C' . 23.4 mttm -70.61 -44.12 67.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.013 -1.055 . . . . 0.0 109.167 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 p -122.02 179.8 4.4 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.123 -0.986 . . . . 0.0 109.646 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.13 -175.98 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.24 168.95 9.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.084 -1.01 . . . . 0.0 109.519 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 0.8 OUTLIER -93.47 -22.92 18.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.05 -1.031 . . . . 0.0 111.047 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 HG21 ' A' ' 57' ' ' ILE . 2.0 pp -59.3 -23.93 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.58 -1.325 . . . . 0.0 109.434 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -73.15 -41.13 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.495 -1.378 . . . . 0.0 107.524 177.638 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.09 -36.03 60.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.206 -0.934 . . . . 0.0 109.878 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -72.91 -34.31 66.55 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.846 -1.159 . . . . 0.0 110.959 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.422 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.7 mmt -66.4 -28.25 68.48 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.179 -0.951 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -47.55 -34.78 8.07 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.75 -1.219 . . . . 0.0 109.021 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.38 -46.58 0.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 t 179.69 49.99 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.968 -1.313 . . . . 0.0 110.272 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 45.58 45.99 10.97 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.157 -0.964 . . . . 0.0 111.062 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.499 2.016 0 O-C-N 120.928 -1.107 . . . . 0.0 110.107 -179.741 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.538 ' C6 ' ' N3 ' ' B' ' 50' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C3'-C2'-C1' 104.348 3.164 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 110.998 2.798 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.099 2.899 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.409 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 110.844 2.644 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.409 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.536 1.972 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.457 ' C6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C5'-C4'-C3' 111.563 -2.624 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.442 ' N7 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 C3'-C2'-C1' 104.35 3.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 111.598 3.398 . 0.019 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 110.953 2.753 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.502 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 O4'-C1'-N19 110.944 2.744 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C1'-N19 111.152 2.952 . 0.058 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 C3'-C2'-C1' 104.145 2.939 . 0.258 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.439 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.629 -2.581 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.439 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 O4'-C1'-N19 110.861 2.661 . 0.892 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.004 2.804 . 0.618 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.502 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.363 3.163 . 0.146 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.18 2.98 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 110.846 2.646 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.442 ' C2 ' ' N7 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.868 0 O4'-C1'-N19 110.993 2.793 . 0.52 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.158 2.958 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.91 0 O4'-C1'-N19 111.088 2.888 . 0.256 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.442 ' N2 ' ' O ' ' A' ' 48' ' ' LEU . . . . . . . . 0 P--O5' 1.613 2.023 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.465 ' N3 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.436 1.806 0 C5'-C4'-C3' 111.602 -2.599 . 0.057 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 110.871 2.671 . 0.111 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C5'-C4'-C3' 111.79 -2.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.23 3.03 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . 0.457 " O2'" " C5'" ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.068 0 O4'-C1'-N19 111.511 3.311 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.457 " C5'" " O2'" ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.188 2.988 . 0.158 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.151 2.951 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . 0.538 ' N3 ' ' C6 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 O4'-C1'-N19 110.694 2.494 . 0.359 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 11.6 t -73.08 -46.27 8.22 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.024 -1.048 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.4 Cg_endo -78.84 89.83 1.33 Allowed 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 121.067 1.178 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.31 -178.72 0.05 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.065 . . . . 0.0 109.365 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -92.54 155.77 17.58 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 109.243 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -88.67 152.13 48.74 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.085 -1.01 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HB3' HG23 ' A' ' 65' ' ' THR . 36.2 Cg_endo -78.39 110.95 2.95 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 121.836 1.691 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-20 -89.2 175.34 7.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.091 -1.005 . . . . 0.0 109.267 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.604 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t60 -68.47 -37.75 80.45 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.009 -1.057 . . . . 0.0 109.783 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.7 m -107.19 156.58 18.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.917 -1.114 . . . . 0.0 109.999 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.704 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 6.3 pt -117.49 147.69 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 108.894 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 80.0 t80 -117.48 147.03 43.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.188 -0.945 . . . . 0.0 109.77 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 16' ' ' LEU . 2.9 mt -126.88 148.06 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.975 . . . . 0.0 108.616 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' O ' HD12 ' A' ' 16' ' ' LEU . 5.1 t30 -139.79 -180.0 6.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.957 -1.089 . . . . 0.0 109.9 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.93 41.42 4.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.985 -1.072 . . . . 0.0 109.648 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 13' ' ' ILE . 10.9 mp -99.3 135.18 41.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.977 -1.077 . . . . 0.0 109.43 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.57 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.6 p30 -58.86 153.75 16.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.014 -1.054 . . . . 0.0 109.008 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -101.96 56.98 0.81 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 110.119 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -147.37 32.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.895 -1.128 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 77' ' ' TYR . 11.4 mm -105.12 154.03 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.785 -1.197 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -81.05 -179.7 7.47 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.76 -39.55 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.919 -1.113 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.29 -18.69 57.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.03 -1.044 . . . . 0.0 109.476 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.1 mt-10 -84.74 -41.84 15.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.683 -1.261 . . . . 0.0 110.238 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD13 HG21 ' A' ' 20' ' ' ILE . 11.5 tp -71.91 -36.37 69.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.906 -1.121 . . . . 0.0 110.144 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -76.0 -32.56 59.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.871 -1.143 . . . . 0.0 109.883 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -72.7 -25.77 61.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.811 -1.181 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -84.21 -37.94 21.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.567 -1.333 . . . . 0.0 110.342 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' CB ' HD13 ' A' ' 42' ' ' ILE . 19.5 mt -66.36 -47.65 72.73 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.916 -1.115 . . . . 0.0 109.516 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.8 t-80 -58.68 -26.15 63.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.22 -0.925 . . . . 0.0 111.044 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.3 -70.41 0.56 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.564 -1.335 . . . . 0.0 110.211 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -44.88 -56.88 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.957 -1.089 . . . . 0.0 111.773 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.7 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 15.5 m-85 -64.43 -35.28 80.4 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.846 -1.159 . . . . 0.0 110.704 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.595 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.5 t -54.4 -35.82 63.28 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.744 -1.223 . . . . 0.0 110.298 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -47.32 61.23 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.728 -1.233 . . . . 0.0 110.132 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 71.8 m-85 -59.88 -58.01 10.42 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.002 -1.062 . . . . 0.0 109.626 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.57 -148.82 4.96 Favored Glycine 0 N--CA 1.495 2.626 0 C-N-CA 119.774 -1.203 . . . . 0.0 110.108 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -97.84 142.15 29.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.32 . . . . 0.0 109.599 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.595 HD11 ' N ' ' A' ' 34' ' ' SER . 33.3 mt -109.3 119.51 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.999 -1.063 . . . . 0.0 109.314 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 59' ' ' LYS . 97.4 mt -61.57 -41.72 97.81 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.977 -1.077 . . . . 0.0 109.33 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.44 159.64 0.71 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.012 -1.055 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' CB ' ' A' ' 29' ' ' LEU . 28.3 mt -123.73 157.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.968 . . . . 0.0 109.011 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -139.13 141.81 38.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.912 -1.118 . . . . 0.0 109.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 25' ' ' LEU . 11.0 m -140.13 121.77 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 108.968 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.457 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 2.8 m -104.32 177.74 4.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.039 . . . . 0.0 109.752 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -146.55 35.7 0.96 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.046 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 p -91.76 -169.62 2.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.723 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N2 ' ' B' ' 42' ' ' ' G' . 4.9 tt -64.75 -40.15 94.8 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.763 -1.211 . . . . 0.0 109.758 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -79.18 -38.75 35.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.96 -1.088 . . . . 0.0 109.928 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mmt -96.44 53.08 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.7 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -107.22 39.46 1.88 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 109.37 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.62 55.57 0.02 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -169.61 170.35 8.15 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.059 -1.26 . . . . 0.0 110.342 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.4 170.81 17.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.773 -1.205 . . . . 0.0 109.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 52.5 m-85 -134.78 112.77 11.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.004 -1.06 . . . . 0.0 109.472 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.636 HG21 ' CE2' ' A' ' 33' ' ' PHE . 41.4 t -107.26 110.06 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.913 -1.117 . . . . 0.0 109.481 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.757 HG21 HD11 ' A' ' 92' ' ' ILE . 13.6 mt -91.71 125.23 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.155 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 71.0 m-85 -101.46 142.11 33.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.458 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -51.59 -39.72 58.47 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.982 -1.074 . . . . 0.0 109.754 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 153.76 34.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.055 -1.028 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 9' ' ' HIS . 43.4 t -69.99 -35.61 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.049 -1.032 . . . . 0.0 109.978 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 p -60.23 -37.47 80.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.895 -1.128 . . . . 0.0 110.037 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -59.2 -36.09 74.76 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.87 -1.144 . . . . 0.0 110.194 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.704 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -75.61 -29.09 59.11 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.733 -1.229 . . . . 0.0 109.648 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.6 m -63.69 -37.71 88.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.927 -1.108 . . . . 0.0 109.503 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -78.03 -32.15 50.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.69 -13.37 60.05 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.725 -1.235 . . . . 0.0 111.437 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -99.4 -43.41 6.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.391 -1.443 . . . . 0.0 110.444 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -76.82 -40.68 47.13 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 109.742 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 t -64.49 -35.81 82.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.134 -0.979 . . . . 0.0 109.81 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 63.9 mtp -103.14 36.53 2.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.32 101.93 0.27 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.99 -1.069 . . . . 0.0 109.042 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.09 68.64 1.53 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 2.4 m-85 -120.07 162.8 31.65 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.061 -1.258 . . . . 0.0 109.747 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.92 133.39 12.46 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.86 1.707 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -122.63 -59.24 1.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 0.0 108.82 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.689 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.2 m-85 -124.95 68.52 1.11 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.977 -1.077 . . . . 0.0 108.912 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.11 41.91 16.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.034 -1.041 . . . . 0.0 109.154 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -173.03 142.52 1.04 Allowed Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 120.999 -1.063 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.59 146.4 24.13 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.488 1.458 . . . . 0.0 110.149 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.69 138.45 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.995 -1.066 . . . . 0.0 110.345 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -99.92 150.13 22.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -0.99 . . . . 0.0 108.748 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.49 138.65 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.981 -1.074 . . . . 0.0 110.172 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -124.83 134.38 52.75 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 69.8 m-85 -48.39 143.14 5.01 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.019 -1.05 . . . . 0.0 110.814 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.15 -172.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HG3' ' N3 ' ' B' ' 43' ' ' ' C' . 4.6 mtmp? -97.21 -44.42 6.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.055 . . . . 0.0 109.716 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -118.64 179.8 4.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 109.822 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.64 -174.39 5.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.065 -1.022 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.2 OUTLIER -99.15 164.24 12.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.064 -1.022 . . . . 0.0 109.749 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.75 -35.13 39.24 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.986 -1.071 . . . . 0.0 109.944 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -54.45 -27.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.743 -1.223 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.7 mp -77.45 -39.53 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.456 -1.403 . . . . 0.0 108.397 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.88 -32.74 9.39 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.972 -1.08 . . . . 0.0 110.45 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' A' ' 96' ' ' MET . 6.1 mttp -73.74 -42.76 60.68 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.814 -1.178 . . . . 0.0 110.329 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.437 ' HE3' ' HB2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -63.77 -22.47 66.92 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.529 -0.732 . . . . 0.0 111.482 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.88 -39.44 59.0 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.501 -1.375 . . . . 0.0 108.27 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' HG22 ' A' ' 99' ' ' THR . . . 167.12 75.19 0.03 OUTLIER Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 98' ' ' GLY . 1.8 t 40.16 74.41 0.1 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.687 -0.89 . . . . 0.0 110.768 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -46.67 125.48 7.22 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.223 -0.923 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 110.917 2.717 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.064 0 O4'-C1'-N19 111.132 2.932 . 0.26 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 110.861 2.661 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.918 0 O4'-C1'-N19 110.914 2.714 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.902 0 O4'-C1'-N19 111.159 2.959 . 0.311 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.544 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C3'-C2'-C1' 104.142 2.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.475 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.274 0 O4'-C1'-N19 111.564 3.364 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 110.908 2.708 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-C3' 111.623 -2.585 . 0.063 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 111.134 2.934 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C3'-C2'-C1' 104.181 2.979 . 0.309 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 C5'-C4'-C3' 111.607 -2.595 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.987 2.787 . 0.891 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.102 0 O4'-C1'-N19 111.199 2.999 . 0.652 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.052 2.852 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C1'-N19 111.252 3.052 . 0.234 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 110.901 2.701 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.49 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.959 0 O4'-C1'-N19 110.958 2.758 . 0.44 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.798 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.429 -1.979 0 O4'-C1'-N19 111.084 2.884 . 0.224 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.416 ' OP1' ' C2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 111.575 -2.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.433 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 O4'-C1'-N19 110.851 2.651 . 0.066 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.455 ' C6 ' ' HE2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.435 1.781 0 O4'-C1'-N19 110.925 2.725 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.461 ' H61' ' HA ' ' A' ' 90' ' ' SER . . . . . . . . 0 O4'--C1' 1.437 1.896 0 C5'-C4'-C3' 111.474 -2.684 . 0.069 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.445 ' N3 ' ' HB2' ' A' ' 91' ' ' ASP . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 O4'-C1'-N19 111.506 3.306 . 0.09 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.544 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.13 0 O4'-C1'-N19 111.305 3.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.046 0 O4'-C1'-N19 111.564 3.364 . 0.428 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 O4'-C1'-N19 111.119 2.919 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 110.904 2.704 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 110.778 2.578 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.4 p -140.53 68.29 31.26 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.3 170.05 20.19 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.803 1.668 . . . . 0.0 110.372 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 156.52 29.0 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.133 -0.979 . . . . 0.0 109.602 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -99.13 -46.85 5.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 109.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 0.2 OUTLIER 62.73 153.52 0.11 Allowed Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.064 -1.022 . . . . 0.0 109.513 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.06 139.85 17.46 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.73 1.62 . . . . 0.0 110.158 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.538 ' C ' HG13 ' A' ' 61' ' ' VAL . 3.9 m120 -135.59 157.17 47.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.027 . . . . 0.0 109.597 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -57.17 -39.35 75.12 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.126 -0.984 . . . . 0.0 109.632 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.9 m -108.44 140.75 41.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.984 -1.072 . . . . 0.0 109.784 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.705 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.4 pt -100.66 147.99 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 0.0 109.152 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -118.02 122.44 43.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 0.0 109.237 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.88 148.64 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.118 -0.989 . . . . 0.0 109.057 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -146.71 -175.06 4.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.991 -1.068 . . . . 0.0 109.698 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.95 40.83 22.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.044 -1.035 . . . . 0.0 109.391 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 53' ' ' GLN . 5.6 mt -100.23 143.64 30.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.599 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.2 p30 -60.96 153.73 24.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.078 -1.014 . . . . 0.0 108.725 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' OE2' ' C2 ' ' B' ' 40' ' ' ' U' . 4.5 mt-10 -100.4 59.32 0.99 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.0 109.959 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -148.51 33.6 0.79 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.048 . . . . 0.0 110.403 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.738 HG21 HD13 ' A' ' 25' ' ' LEU . 7.1 mm -111.48 153.74 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.821 -1.175 . . . . 0.0 109.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -83.88 -178.74 7.08 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -86.87 -39.97 15.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.882 -1.137 . . . . 0.0 109.309 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.12 -23.04 54.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.082 -1.011 . . . . 0.0 109.1 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.9 tt0 -79.74 -44.31 20.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.864 -1.147 . . . . 0.0 110.127 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 20' ' ' ILE . 10.4 tp -69.86 -31.17 68.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.91 -1.119 . . . . 0.0 110.514 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 ttmt -76.35 -32.18 58.49 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.762 -1.211 . . . . 0.0 109.997 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -34.94 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.818 -1.176 . . . . 0.0 110.423 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 t -78.47 -33.51 48.26 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.763 -1.211 . . . . 0.0 110.389 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.84 -42.62 90.28 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.757 -1.214 . . . . 0.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.415 ' O ' ' OG ' ' A' ' 34' ' ' SER . 9.5 t-80 -64.56 -27.75 69.17 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.218 -0.926 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -69.4 0.58 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.611 -1.306 . . . . 0.0 110.061 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -54.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.982 -1.074 . . . . 0.0 111.906 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 39.4 m-85 -67.53 -36.5 81.14 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.839 -1.163 . . . . 0.0 111.295 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.598 ' N ' HD11 ' A' ' 39' ' ' ILE . 12.2 p -55.75 -35.42 66.17 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.659 -1.276 . . . . 0.0 110.267 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -51.42 -45.84 62.72 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.701 -1.249 . . . . 0.0 110.023 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 67.7 m-85 -53.47 -62.16 1.83 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.963 -1.085 . . . . 0.0 109.816 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.48 -122.84 1.11 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -122.65 129.94 52.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.057 -1.26 . . . . 0.0 109.398 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.598 HD11 ' N ' ' A' ' 34' ' ' SER . 13.5 mt -96.12 134.59 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 0.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.85 -42.03 18.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.056 . . . . 0.0 109.604 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.13 157.48 18.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.136 -0.978 . . . . 0.0 110.27 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.42 115.43 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.025 . . . . 0.0 109.209 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.59 112.75 24.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.855 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 26' ' ' LYS . 7.8 t -93.5 161.3 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.018 -1.051 . . . . 0.0 108.378 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.456 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.7 OUTLIER -133.06 130.83 39.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.934 -1.103 . . . . 0.0 109.797 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -120.59 30.96 6.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.084 -1.01 . . . . 0.0 110.37 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 t -103.26 159.82 15.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.695 -1.253 . . . . 0.0 109.027 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.798 HD21 " O2'" ' B' ' 40' ' ' ' U' . 2.5 tt -57.67 -57.27 13.45 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.853 -1.154 . . . . 0.0 109.515 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -54.19 -37.19 64.23 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.003 -1.06 . . . . 0.0 110.07 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.41 51.87 0.73 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 0.0 109.107 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.6 ttt-85 -105.37 154.2 20.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.106 -0.996 . . . . 0.0 109.521 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.58 93.55 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.8 pt20 -158.73 159.89 35.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.919 -1.342 . . . . 0.0 109.827 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.44 171.12 16.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.927 -1.108 . . . . 0.0 109.912 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -132.48 132.01 42.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 109.031 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' THR . 22.4 t -129.55 147.38 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 109.562 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.036 HG21 HD11 ' A' ' 92' ' ' ILE . 53.4 mt -127.62 138.2 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.007 -1.058 . . . . 0.0 108.648 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE1' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -124.0 153.49 41.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.069 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 117.94 5.28 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 71.69 156.47 0.16 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 9' ' ' HIS . 35.5 t -74.84 -30.46 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.08 -1.012 . . . . 0.0 110.857 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 p -58.07 -38.48 76.43 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.746 -1.221 . . . . 0.0 110.594 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 29.3 t -58.62 -37.19 75.36 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.82 -1.175 . . . . 0.0 110.47 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.25 -28.13 56.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.723 -1.236 . . . . 0.0 109.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.757 HG22 ' HD2' ' A' ' 69' ' ' ARG . 4.3 m -59.28 -38.46 80.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.801 -1.187 . . . . 0.0 109.574 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.17 -35.17 31.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.974 -1.079 . . . . 0.0 109.843 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -64.16 -19.95 65.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.774 -1.204 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.26 -52.15 3.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.386 -1.446 . . . . 0.0 110.966 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -55.86 -40.51 73.01 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.844 -1.16 . . . . 0.0 110.163 -179.032 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 2.4 m -69.18 -33.71 73.79 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.03 -1.044 . . . . 0.0 110.331 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -101.43 35.36 2.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.761 -1.212 . . . . 0.0 110.167 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.57 96.12 1.92 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.878 -1.139 . . . . 0.0 108.946 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.8 69.43 1.4 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -130.52 161.68 59.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.266 . . . . 0.0 109.442 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 34.7 Cg_endo -76.47 138.21 19.36 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.828 1.685 . . . . 0.0 110.158 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 6.6 t80 -129.68 -59.94 1.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.109 -0.994 . . . . 0.0 109.315 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.709 ' CD2' HD12 ' A' ' 20' ' ' ILE . 2.9 m-85 -122.79 69.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.032 -1.042 . . . . 0.0 109.099 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.8 42.06 20.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.951 -1.093 . . . . 0.0 109.098 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 80' ' ' PRO . 19.3 tttp -176.79 140.91 0.49 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.116 -0.99 . . . . 0.0 109.771 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 79' ' ' LYS . 34.5 Cg_endo -76.61 148.16 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 121.399 1.399 . . . . 0.0 110.134 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.2 143.36 24.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.078 -1.014 . . . . 0.0 110.004 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -98.01 146.68 25.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.94 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.801 HG22 HD11 ' A' ' 68' ' ' LEU . 55.6 mt -112.44 137.91 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.031 -1.043 . . . . 0.0 110.153 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -132.7 135.34 45.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 108.541 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 60.5 m-85 -47.91 169.22 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.053 -1.029 . . . . 0.0 110.901 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.97 128.19 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HE2' ' C6 ' ' B' ' 43' ' ' ' C' . 0.8 OUTLIER -54.69 -37.99 66.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.906 -1.121 . . . . 0.0 109.892 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 2.7 p -99.66 178.94 4.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.935 -1.103 . . . . 0.0 109.537 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' O ' ' N6 ' ' B' ' 44' ' ' ' A' . 35.2 m-20 -116.82 175.87 5.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.965 -1.084 . . . . 0.0 109.538 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.461 ' HA ' ' H61' ' B' ' 44' ' ' ' A' . 9.3 p -98.24 165.25 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.353 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 15.3 t70 -103.09 -8.46 20.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.087 -1.008 . . . . 0.0 111.75 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 1.036 HD11 HG21 ' A' ' 57' ' ' ILE . 1.1 pt -56.56 -24.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.305 -1.497 . . . . 0.0 109.487 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.7 mm -77.55 -40.35 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 120.56 -1.337 . . . . 0.0 108.216 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.86 -37.91 64.16 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.048 -1.033 . . . . 0.0 110.028 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -69.3 -35.23 75.78 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.961 -1.087 . . . . 0.0 110.965 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.406 ' N ' ' CE ' ' A' ' 96' ' ' MET . 29.9 mmt -65.88 -30.25 70.82 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.277 -0.889 . . . . 0.0 110.05 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -48.86 -35.55 14.95 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.797 -1.189 . . . . 0.0 109.439 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 101' ' ' VAL . . . 149.26 69.8 0.01 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.408 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.2 t 38.52 45.05 0.82 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.648 -0.913 . . . . 0.0 111.358 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.4 t80 45.53 91.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.134 -0.978 . . . . 0.0 110.994 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 98' ' ' GLY . 97.3 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.05 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 O4'-C1'-N19 110.906 2.706 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.428 ' C5 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.842 0 O4'-C1'-N19 110.998 2.798 . 0.444 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.428 ' C4 ' ' C5 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 110.974 2.774 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.53 ' N6 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.898 0 O4'-C1'-N19 110.96 2.76 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.53 ' C6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.97 0 O4'-C1'-N19 111.186 2.986 . 0.342 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.449 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.453 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C3'-C2'-C1' 104.25 3.056 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.132 0 O4'-C1'-N19 111.397 3.197 . 0.089 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 110.914 2.714 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.537 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.246 0 O4'-C1'-N19 111.581 3.381 . 0.138 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.537 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.103 2.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C3'-C2'-C1' 104.237 3.041 . 0.3 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C5'-C4'-C3' 111.63 -2.58 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 110.883 2.683 . 0.899 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.411 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.145 2.945 . 0.609 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.411 ' C6 ' ' C6 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 O4'-C1'-N19 111.109 2.909 . 0.347 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.429 " O2'" " O4'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.987 0 O4'-C1'-N19 111.157 2.957 . 0.287 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . 0.429 " O4'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 110.818 2.618 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C1'-N19 111.038 2.838 . 0.419 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.018 2.818 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 110.773 2.573 . 0.01 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.442 ' C5 ' ' OE1' ' A' ' 53' ' ' GLN . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 O4'-C1'-N19 110.854 2.654 . 0.453 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.458 ' C5 ' ' CE2' ' A' ' 12' ' ' TYR . . . . . . . . 0 P--O5' 1.612 1.879 0 O4'-C1'-N19 110.917 2.717 . 0.064 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.537 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C4' 1.429 -1.985 0 O4'-C1'-N19 110.965 2.765 . 0.291 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.529 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 110.849 2.649 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.142 0 O4'-C1'-N19 111.497 3.297 . 0.11 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.483 ' N1 ' ' N1 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.077 0 O4'-C1'-N19 111.061 2.861 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 O4'-C1'-N19 110.945 2.745 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 O4'-C1'-N19 110.842 2.642 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 2' ' ' VAL . 19.3 m -140.07 71.83 34.16 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.012 -1.055 . . . . 0.0 109.562 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.06 109.5 2.71 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.899 1.733 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -57.34 179.52 0.05 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.006 -1.059 . . . . 0.0 109.518 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -139.71 150.05 44.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.4 158.76 13.61 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.1 Cg_endo -78.11 135.73 14.02 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.857 1.705 . . . . 0.0 110.373 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 m-20 -105.24 172.96 6.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.528 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.92 -39.53 34.54 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.078 -1.014 . . . . 0.0 109.438 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.5 m -107.32 156.32 19.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.994 -1.066 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.601 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 30.0 pt -113.79 160.22 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 108.579 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' ILE . 42.8 t80 -125.36 121.73 34.77 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.28 152.18 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.897 -1.127 . . . . 0.0 109.077 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.35 159.82 41.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.018 . . . . 0.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t30 71.16 71.67 0.18 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.045 -1.035 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' GLY . 30.4 mt -123.65 -175.19 3.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.004 -1.06 . . . . 0.0 109.024 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.53 148.18 48.51 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.921 -1.112 . . . . 0.0 109.171 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.92 35.49 2.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.047 -1.033 . . . . 0.0 110.289 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -154.29 38.42 0.44 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.869 -1.144 . . . . 0.0 109.705 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 25' ' ' LEU . 14.1 mm -105.08 156.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.068 -1.02 . . . . 0.0 110.583 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -173.46 3.58 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 121.402 -0.811 . . . . 0.0 109.189 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HE2' ' N6 ' ' B' ' 24' ' ' ' A' . 42.4 mttt -86.87 -37.66 17.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.021 -1.049 . . . . 0.0 109.6 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.15 -22.73 48.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.121 -0.987 . . . . 0.0 109.319 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.1 tp10 -82.61 -40.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.686 -1.259 . . . . 0.0 110.281 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 29' ' ' LEU . 8.7 tp -76.88 -28.07 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.95 -1.094 . . . . 0.0 110.727 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -85.61 -24.19 27.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.625 -1.297 . . . . 0.0 109.773 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -78.06 -24.15 47.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.576 -1.328 . . . . 0.0 110.156 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -95.5 -41.93 8.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.568 -1.332 . . . . 0.0 110.954 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -77.09 -31.65 56.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.815 -1.178 . . . . 0.0 109.783 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 59.1 t-80 -66.18 -29.65 69.97 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.788 -1.195 . . . . 0.0 109.28 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.18 -58.45 3.27 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.775 -1.203 . . . . 0.0 109.754 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -57.79 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.134 . . . . 0.0 111.129 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.772 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 27.5 m-85 -63.93 -29.69 70.84 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.758 -1.214 . . . . 0.0 111.204 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -62.34 -33.04 73.92 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.736 -1.228 . . . . 0.0 111.209 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -32.48 19.86 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.638 -1.289 . . . . 0.0 110.932 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -64.6 -60.5 3.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.654 -1.279 . . . . 0.0 109.35 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.82 -96.46 0.17 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -147.87 134.91 20.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.237 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 65.3 mt -97.13 118.24 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.151 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 92' ' ' ILE . 1.1 tp -62.76 -43.2 99.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.989 -1.07 . . . . 0.0 109.355 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.98 146.32 0.24 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.1 -1.0 . . . . 0.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 55' ' ' PHE . 9.7 mt -119.39 141.77 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.092 -1.005 . . . . 0.0 109.106 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.47 134.64 53.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.994 -1.067 . . . . 0.0 110.306 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 44' ' ' VAL . 17.3 m -143.37 121.36 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.449 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 15.7 m -114.36 -177.73 3.2 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.884 -1.135 . . . . 0.0 110.08 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 33.07 3.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 p -85.45 172.58 10.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.705 -1.247 . . . . 0.0 108.665 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 1.8 tt -61.15 -42.99 99.54 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.783 -1.198 . . . . 0.0 109.912 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -99.41 62.63 1.24 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.0 109.64 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.51 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 151.0 2.14 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.867 -1.146 . . . . 0.0 110.059 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 101.18 -36.44 4.2 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -113.92 179.45 3.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.939 -1.33 . . . . 0.0 109.177 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.35 173.14 17.11 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.994 -1.067 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 42' ' ' ILE . 97.5 m-85 -129.71 139.72 51.28 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.03 -1.043 . . . . 0.0 109.136 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.04 98.6 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.87 -1.144 . . . . 0.0 109.571 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 92' ' ' ILE . 3.3 mp -85.48 118.48 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.971 -1.081 . . . . 0.0 109.235 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -91.5 144.78 25.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.103 -0.998 . . . . 0.0 109.173 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -47.78 -36.7 12.06 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.156 -0.965 . . . . 0.0 110.914 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.98 155.75 43.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.821 -1.174 . . . . 0.0 110.008 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 8' ' ' ASN . 47.9 t -62.95 -37.18 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.096 -1.002 . . . . 0.0 109.643 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -61.44 -36.54 80.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.916 -1.115 . . . . 0.0 109.804 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -34.99 72.96 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.86 -1.15 . . . . 0.0 110.278 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.89 -28.76 55.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.751 -1.218 . . . . 0.0 109.889 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.537 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.5 m -66.36 -36.79 83.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.859 -1.151 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.34 -37.19 52.94 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.871 -1.143 . . . . 0.0 109.642 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.772 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.64 -23.83 66.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.865 -1.147 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -88.9 -36.16 16.1 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.484 -1.385 . . . . 0.0 110.405 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -66.83 -35.22 79.54 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.875 -1.141 . . . . 0.0 110.342 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -88.41 -34.11 17.66 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.909 -1.119 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.4 mtp -101.49 34.32 2.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.775 -1.203 . . . . 0.0 110.31 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 96.11 4.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.176 . . . . 0.0 108.523 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.04 60.12 2.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.41 159.21 42.64 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.123 -1.222 . . . . 0.0 109.941 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.67 140.38 20.99 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.798 1.665 . . . . 0.0 110.115 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CZ ' ' CE1' ' A' ' 77' ' ' TYR . 15.0 t80 -135.75 -61.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.128 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 m-85 -115.99 70.54 0.76 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.048 -1.032 . . . . 0.0 109.603 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.45 42.02 25.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.037 -1.039 . . . . 0.0 109.818 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 152.76 0.77 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.947 -1.096 . . . . 0.0 110.188 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.27 148.91 24.45 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.821 1.681 . . . . 0.0 110.034 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -149.14 120.9 8.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.991 -1.068 . . . . 0.0 110.073 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -91.22 151.94 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.083 -1.011 . . . . 0.0 108.809 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.573 HG22 HD11 ' A' ' 68' ' ' LEU . 57.8 mt -127.37 137.57 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.103 -0.998 . . . . 0.0 110.563 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.08 145.33 50.38 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' OH ' HG23 ' A' ' 65' ' ' THR . 11.6 m-85 -49.5 136.2 16.9 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.036 -1.04 . . . . 0.0 110.152 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.26 179.71 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.013 -1.054 . . . . 0.0 109.656 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' HG3' ' N3 ' ' B' ' 43' ' ' ' C' . 21.7 mttm -93.21 -47.35 6.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.685 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -111.41 178.9 4.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.01 . . . . 0.0 109.633 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 13.5 m-20 -81.98 -173.16 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.033 -1.042 . . . . 0.0 109.245 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.467 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 2.8 t -99.74 150.9 21.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.068 -1.02 . . . . 0.0 109.664 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.04 -31.41 30.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.099 -1.001 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.699 HD12 HD23 ' A' ' 40' ' ' LEU . 1.4 pt -58.72 -27.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.715 -1.241 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp -80.12 -30.65 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 O-C-N 120.443 -1.41 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.19 19.05 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.529 -1.357 . . . . 0.0 110.159 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -91.2 -25.31 19.59 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.687 -1.258 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 92' ' ' ILE . 28.3 mmt -65.77 -29.51 70.02 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.991 -1.068 . . . . 0.0 110.202 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -47.3 -35.64 8.21 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.767 -1.208 . . . . 0.0 108.981 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.72 -56.31 0.17 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 t -179.92 49.24 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.265 . . . . 0.0 110.309 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.7 t80 44.12 79.07 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.178 -0.951 . . . . 0.0 111.2 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.027 -1.045 . . . . 0.0 109.142 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.942 0 O4'-C1'-N19 110.949 2.749 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.995 0 O4'-C1'-N19 111.024 2.824 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 110.986 2.786 . 0.341 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 C5'-C4'-C3' 111.492 -2.672 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.122 0 O4'-C1'-N19 111.146 2.946 . 0.058 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.535 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C3'-C2'-C1' 104.315 3.128 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.529 ' N2 ' ' C2 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.529 ' C2 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.192 0 O4'-C1'-N19 111.372 3.172 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.424 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 110.953 2.753 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 O4'-C1'-N19 110.776 2.576 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.413 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.174 2.974 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C3'-C2'-C1' 104.198 2.997 . 0.432 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.429 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C5'-C4'-C3' 111.617 -2.588 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.429 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 110.824 2.624 . 0.873 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 O4'-C1'-N19 111.12 2.92 . 0.593 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.417 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 111.068 2.868 . 0.051 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.417 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.925 0 O4'-C1'-N19 111.077 2.877 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . 0.415 ' N3 ' ' C6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.114 2.914 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 O4'-C1'-N19 110.97 2.77 . 0.468 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 111.391 3.191 . 0.295 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.869 0 C5'-C4'-C3' 111.422 -2.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.449 " O2'" ' HG2' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 110.915 2.715 . 0.228 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.42 " O2'" ' OP2' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.069 0 O4'-C1'-N19 111.128 2.928 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.53 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.963 0 O4'-C1'-N19 110.987 2.787 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.53 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.075 2.875 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.535 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.072 0 O4'-C1'-N19 111.25 3.05 . 0.386 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.901 0 O4'-C1'-N19 111.526 3.326 . 0.192 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.076 0 O4'-C1'-N19 111.201 3.001 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C5'-C4'-C3' 111.656 -2.563 . 0.16 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.036 2.836 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.1 p -149.16 63.06 6.45 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.45 86.38 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 121.779 1.653 . . . . 0.0 110.311 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -70.69 104.44 2.84 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.019 -1.05 . . . . 0.0 109.701 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 5' ' ' THR . 26.5 m 55.21 39.66 31.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.842 -1.161 . . . . 0.0 109.91 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 55.92 84.55 0.21 Allowed Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 120.962 -1.086 . . . . 0.0 109.648 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.56 138.85 17.66 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.804 1.669 . . . . 0.0 110.486 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m120 -116.9 -178.26 3.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.081 -1.012 . . . . 0.0 109.43 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.83 30.75 5.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.038 -1.039 . . . . 0.0 110.336 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 ' OG1' HG12 ' A' ' 57' ' ' ILE . 56.7 m -167.92 110.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.775 -1.203 . . . . 0.0 110.319 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 33' ' ' PHE . 2.9 pt -72.72 167.37 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.918 -1.114 . . . . 0.0 108.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -138.92 133.8 32.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.955 -1.09 . . . . 0.0 109.634 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 29' ' ' LEU . 3.1 mt -126.95 146.45 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.918 -1.114 . . . . 0.0 109.475 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -144.71 -173.77 4.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.023 -1.048 . . . . 0.0 109.621 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.6 OUTLIER 62.06 44.2 8.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.038 -1.039 . . . . 0.0 109.469 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLN . 44.0 mt -89.19 -173.61 4.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HB3' HD11 ' A' ' 20' ' ' ILE . 2.3 t-20 -81.13 153.11 27.46 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 109.157 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.27 42.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 109.834 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -148.24 33.93 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.912 -1.118 . . . . 0.0 110.095 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -121.22 157.22 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.084 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -94.77 -170.5 2.24 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.214 -0.929 . . . . 0.0 109.131 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -84.25 -36.42 22.72 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.027 -1.046 . . . . 0.0 110.011 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.79 -31.95 72.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.958 -1.089 . . . . 0.0 108.796 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' A' ' 20' ' ' ILE . 15.8 mt-10 -74.7 -53.25 9.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 109.398 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -51.32 -30.68 19.12 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.011 -1.056 . . . . 0.0 111.115 -179.673 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -78.55 -39.06 38.88 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.68 -1.262 . . . . 0.0 109.707 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -23.66 67.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.066 . . . . 0.0 110.943 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 24.0 m -90.96 -43.87 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.406 -1.434 . . . . 0.0 110.736 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 32' ' ' ILE . 26.2 mt -60.85 -33.54 73.21 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.888 -1.133 . . . . 0.0 110.963 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.711 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.3 t-80 -72.36 -45.82 58.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.135 . . . . 0.0 110.393 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.39 76.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.045 -1.034 . . . . 0.0 110.469 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -61.86 -53.75 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.895 -1.128 . . . . 0.0 110.951 -178.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.833 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 13.9 m-85 -96.86 43.98 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.888 -1.132 . . . . 0.0 111.275 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.5 t -114.53 -55.17 2.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.778 -1.201 . . . . 0.0 109.737 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -37.54 62.56 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.931 -1.106 . . . . 0.0 110.093 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -54.93 -62.25 1.78 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.917 -1.114 . . . . 0.0 109.892 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.93 -137.86 3.43 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.44 135.95 53.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.264 . . . . 0.0 109.505 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.711 HD12 ' CD2' ' A' ' 30' ' ' HIS . 67.6 mt -99.35 118.1 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.09 -1.006 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD23 HD12 ' A' ' 92' ' ' ILE . 1.9 tp -69.98 -41.67 74.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.052 -1.03 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -177.09 154.57 1.08 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mt -117.97 156.23 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.083 -1.011 . . . . 0.0 108.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -126.37 125.47 42.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.967 -1.083 . . . . 0.0 109.956 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.14 138.78 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.138 -0.976 . . . . 0.0 109.035 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.482 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 3.1 m -127.72 164.2 22.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.948 -1.095 . . . . 0.0 109.886 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -127.44 40.24 3.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.091 -1.006 . . . . 0.0 109.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 t -86.14 159.33 19.55 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.946 -1.096 . . . . 0.0 108.781 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 7.6 tt -49.43 -36.29 21.87 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.89 -1.131 . . . . 0.0 110.591 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HG2' " O2'" ' B' ' 42' ' ' ' G' . 0.3 OUTLIER -91.71 -30.22 16.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.006 -1.059 . . . . 0.0 110.469 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 19.8 mtp -106.26 39.78 1.74 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.771 -1.206 . . . . 0.0 110.709 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.22 37.3 1.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.769 -1.207 . . . . 0.0 110.281 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 48.41 0.11 Allowed Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.407 HE22 ' HE1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -171.08 156.81 4.94 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -1.199 . . . . 0.0 110.009 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -151.94 148.82 28.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.914 -1.116 . . . . 0.0 110.273 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HE1' HE22 ' A' ' 53' ' ' GLN . 55.5 m-85 -104.58 118.6 36.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 108.936 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -98.31 130.13 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.944 -1.097 . . . . 0.0 109.563 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.942 HG21 HD11 ' A' ' 92' ' ' ILE . 24.7 mt -114.96 142.36 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 108.825 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 28.1 m-85 -117.74 150.88 38.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.933 -1.104 . . . . 0.0 109.643 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -50.87 -39.31 53.63 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.945 -1.097 . . . . 0.0 109.754 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -116.85 176.61 5.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.963 -1.085 . . . . 0.0 109.399 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG22 ' ND1' ' A' ' 9' ' ' HIS . 26.5 t -88.41 -35.57 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.965 -1.085 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.2 p -58.41 -35.94 72.81 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.903 -1.123 . . . . 0.0 110.252 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -62.19 -37.78 86.61 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.749 -1.219 . . . . 0.0 110.139 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.52 61.92 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.925 -1.11 . . . . 0.0 109.606 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 24.2 m -69.45 -36.93 77.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.138 . . . . 0.0 109.823 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -70.51 -41.97 71.92 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.989 -1.069 . . . . 0.0 108.884 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.94 -38.69 70.64 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.038 -1.039 . . . . 0.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.69 -33.82 69.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.999 -1.063 . . . . 0.0 110.37 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -94.09 56.66 2.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.813 -1.179 . . . . 0.0 109.445 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -144.75 -60.45 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.148 -0.97 . . . . 0.0 109.245 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.8 mmm -111.02 39.59 2.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.071 -1.018 . . . . 0.0 109.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.7 111.87 1.13 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.952 -1.092 . . . . 0.0 109.136 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.25 63.66 4.36 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.34 166.15 31.35 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.035 -1.273 . . . . 0.0 109.756 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.14 123.88 6.37 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.951 1.767 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 20.0 t80 -126.2 -59.85 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.1 -1.0 . . . . 0.0 109.179 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.675 ' CE2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-85 -108.71 61.77 0.6 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.341 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.05 41.33 17.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.001 -1.062 . . . . 0.0 109.539 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 179.49 160.99 0.78 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.918 -1.114 . . . . 0.0 110.206 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.33 146.47 28.12 Favored 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.728 1.619 . . . . 0.0 110.213 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -147.16 137.34 23.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.078 . . . . 0.0 110.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -103.9 150.68 23.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.155 -0.966 . . . . 0.0 109.011 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.67 137.65 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.045 . . . . 0.0 110.101 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.19 135.54 27.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.146 -0.971 . . . . 0.0 108.777 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 14.4 m-85 -51.71 171.03 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 109.615 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.94 173.54 10.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.014 -1.054 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -86.61 -48.05 8.66 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.027 -1.045 . . . . 0.0 109.306 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.0 p -111.28 176.66 4.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.968 -1.083 . . . . 0.0 109.371 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.437 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 2.8 p30 -79.27 175.41 10.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.462 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 12.2 m -97.24 147.82 23.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 109.369 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.69 -25.62 49.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.028 -1.045 . . . . 0.0 110.758 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -58.0 -23.29 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.594 -1.316 . . . . 0.0 109.497 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -78.37 -38.89 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.393 -1.442 . . . . 0.0 108.089 178.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.83 63.3 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.005 -1.059 . . . . 0.0 109.72 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -70.21 -35.23 73.75 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.872 -1.142 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.7 mmt -64.07 -29.53 70.66 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.336 -0.852 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -48.72 -37.31 18.41 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.737 -1.227 . . . . 0.0 109.318 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 99' ' ' THR . . . 152.58 84.78 0.05 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.407 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.2 t 38.42 38.62 0.24 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.612 -0.934 . . . . 0.0 111.426 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.5 t80 45.26 85.77 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.224 -0.923 . . . . 0.0 111.079 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.5 2.055 0 O-C-N 120.921 -1.112 . . . . 0.0 110.176 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 110.927 2.727 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.529 ' C6 ' ' N4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.874 0 O4'-C1'-N19 110.936 2.736 . 0.481 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.529 ' N4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 110.921 2.721 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.512 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.163 2.963 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.449 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.167 0 O4'-C1'-N19 111.367 3.167 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.449 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.033 0 O4'-C1'-N19 110.944 2.744 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.538 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 111.577 3.377 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 O4'-C1'-N19 111.137 2.937 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.202 0 O4'-C1'-N19 111.011 2.811 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.45 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O4'-C1'-N19 111.056 2.856 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.46 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.98 0 C3'-C2'-C1' 104.384 3.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C3'-C2'-C1' 104.256 3.062 . 0.046 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.549 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 111.448 -2.701 . 0.291 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.549 ' N2 ' ' N1 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C3'-C2'-C1' 104.068 2.853 . 0.463 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.546 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.203 0 O4'-C1'-N19 111.204 3.004 . 0.239 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.45 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.299 3.099 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 O4'-C1'-N19 111.303 3.103 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 110.847 2.647 . 0.342 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.535 ' C2 ' ' C6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.008 0 O4'-C1'-N19 111.076 2.876 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C1'-N19 110.98 2.78 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.404 ' C2 ' ' O6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.904 0 O4'-C1'-N19 110.879 2.679 . 0.241 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.612 " O2'" ' P ' ' B' ' 43' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.545 1.88 0 O4'-C1'-N19 111.261 3.061 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.612 ' P ' " O2'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.915 0 P-O3'-C3' 123.072 2.81 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.544 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.609 1.632 0 C5'-C4'-C3' 111.588 -2.608 . 0.036 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.544 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 O4'-C1'-N19 111.054 2.854 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 0 O4'-C1'-N19 111.267 3.067 . 0.168 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 111.596 3.396 . 0.091 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.512 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.0 0 O4'-C1'-N19 111.063 2.863 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 O4'-C1'-N19 111.239 3.039 . 0.304 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 O4'-C1'-N19 111.099 2.899 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.2 85.87 8.63 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.075 -1.016 . . . . 0.0 109.473 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.96 143.91 21.01 Favored 'Trans proline' 0 C--N 1.322 -0.829 0 C-N-CA 121.794 1.662 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.35 172.78 13.33 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.034 -1.041 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -145.17 107.94 4.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.049 -1.032 . . . . 0.0 109.45 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.5 mtt85 -90.74 153.18 45.45 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.088 -1.007 . . . . 0.0 109.236 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.36 133.87 13.57 Favored 'Trans proline' 0 C--N 1.323 -0.814 0 C-N-CA 121.731 1.621 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.727 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -130.07 -171.93 2.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.04 -39.54 11.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -103.35 156.64 17.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.718 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.771 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 25.3 pt -116.55 161.13 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.157 -0.964 . . . . 0.0 108.775 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.536 ' CD2' ' N4 ' ' B' ' 43' ' ' ' C' . 70.8 t80 -128.01 149.44 50.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 109.721 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.28 146.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 108.847 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.9 p-10 -145.86 -174.99 4.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.983 -1.073 . . . . 0.0 109.726 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 66.07 41.83 3.46 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.87 -1.144 . . . . 0.0 109.397 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mt -104.61 142.35 34.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.056 -1.027 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.813 ' OD1' HD11 ' A' ' 20' ' ' ILE . 34.0 p-10 -55.25 153.15 7.31 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.07 -1.019 . . . . 0.0 109.482 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -99.78 59.04 1.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.883 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -152.35 37.17 0.53 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.975 -1.078 . . . . 0.0 109.927 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.813 HD11 ' OD1' ' A' ' 17' ' ' ASN . 3.7 mt -111.85 156.07 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.912 -1.118 . . . . 0.0 110.379 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 20' ' ' ILE . 6.2 mtpp -95.81 -177.76 4.15 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -82.7 -37.76 24.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.837 -1.164 . . . . 0.0 109.959 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.78 -22.72 58.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.068 -1.02 . . . . 0.0 109.619 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 2.8 tp10 -81.63 -42.58 19.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.711 -1.243 . . . . 0.0 110.064 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.9 tp -75.19 -19.89 59.59 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 110.772 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -86.09 -32.78 21.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.568 -1.332 . . . . 0.0 109.533 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -75.62 -29.8 59.33 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.789 -1.195 . . . . 0.0 110.286 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 m -87.11 -34.92 18.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 32' ' ' ILE . 39.3 mt -73.23 -56.06 5.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.715 -1.241 . . . . 0.0 109.615 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 3.3 t-80 -53.35 -28.43 28.81 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.113 -0.992 . . . . 0.0 110.711 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -68.39 0.58 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.284 . . . . 0.0 109.921 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.75 -59.28 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.129 -0.982 . . . . 0.0 112.28 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 35.2 m-85 -61.79 -36.51 81.3 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.696 -1.252 . . . . 0.0 110.368 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -54.56 -34.84 62.56 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.776 -1.202 . . . . 0.0 110.573 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -46.28 69.96 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.615 -1.303 . . . . 0.0 109.952 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 97.4 m-85 -55.06 -61.09 2.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.939 -1.101 . . . . 0.0 109.789 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.28 -133.45 2.21 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -110.97 136.4 50.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.026 -1.279 . . . . 0.0 109.448 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 34' ' ' SER . 40.2 mt -101.77 122.41 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.999 -1.063 . . . . 0.0 109.156 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.788 HD23 ' CD1' ' A' ' 92' ' ' ILE . 1.5 tp -68.97 -39.8 79.24 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.016 -1.053 . . . . 0.0 109.498 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -175.63 153.3 1.42 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.41 157.21 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.095 -1.003 . . . . 0.0 108.756 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -133.94 133.95 42.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.91 -1.119 . . . . 0.0 110.006 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 44' ' ' VAL . 18.6 m -142.91 122.55 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.024 . . . . 0.0 109.122 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.435 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 58.1 m -122.07 179.59 4.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -133.02 37.93 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.4 p -92.39 -173.26 3.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.96 -1.087 . . . . 0.0 109.206 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 0.9 OUTLIER -71.82 -50.94 25.25 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.901 -1.124 . . . . 0.0 109.875 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.66 -38.28 90.46 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.969 -1.082 . . . . 0.0 109.967 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 59.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -118.55 124.29 47.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.949 -1.095 . . . . 0.0 109.271 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.21 38.27 30.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 pt20 -160.99 161.6 31.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.97 -1.312 . . . . 0.0 110.168 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.19 35.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.996 -1.065 . . . . 0.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.95 144.86 39.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.401 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 33' ' ' PHE . 29.4 t -135.09 106.39 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.957 -1.089 . . . . 0.0 109.516 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.79 121.56 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 109.453 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 80.3 m-85 -95.45 142.85 27.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 0.0 109.231 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -50.61 -38.05 43.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.994 -1.066 . . . . 0.0 110.198 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 151.96 40.07 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.883 -1.136 . . . . 0.0 109.797 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.8 t -63.23 -37.58 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.072 -1.018 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 p -60.45 -31.79 70.77 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.011 -1.056 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.39 -35.16 79.48 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.679 -1.263 . . . . 0.0 110.522 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.771 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.95 -31.5 50.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.777 -1.202 . . . . 0.0 109.892 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.469 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 6.3 m -63.32 -39.78 95.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.846 -1.158 . . . . 0.0 109.598 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -73.49 -37.19 65.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.028 -1.045 . . . . 0.0 109.33 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.51 -17.75 64.79 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.86 -1.15 . . . . 0.0 110.64 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 83' ' ' ILE . 1.2 tp -87.89 -57.27 3.0 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.422 -1.423 . . . . 0.0 110.132 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -53.91 -40.42 66.67 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.942 -1.099 . . . . 0.0 110.147 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -71.84 -36.7 70.26 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.015 -1.053 . . . . 0.0 109.989 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.57 35.33 2.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.93 93.89 3.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.887 -1.133 . . . . 0.0 108.725 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.62 62.93 2.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -124.87 162.54 42.67 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.054 -1.262 . . . . 0.0 109.584 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.0 Cg_endo -77.55 135.65 14.85 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.833 1.689 . . . . 0.0 110.412 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.4 t80 -134.15 -59.99 0.82 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.144 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.573 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.1 m-85 -115.91 70.2 0.75 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.103 -0.998 . . . . 0.0 109.666 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 57.33 40.4 27.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.041 -1.037 . . . . 0.0 109.773 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.51 151.39 0.53 Allowed Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 120.935 -1.103 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.18 150.94 29.74 Favored 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.711 1.607 . . . . 0.0 109.848 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.78 139.12 17.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.956 -1.09 . . . . 0.0 110.296 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 141.59 35.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.207 -0.933 . . . . 0.0 108.873 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 68' ' ' LEU . 54.7 mt -105.0 138.9 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.032 -1.042 . . . . 0.0 109.894 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.03 135.25 48.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 108.615 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 22.3 m-85 -49.89 132.53 22.61 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.877 -1.14 . . . . 0.0 109.974 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.46 173.43 0.05 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.024 -1.047 . . . . 0.0 109.68 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HD2' " O2'" ' B' ' 43' ' ' ' C' . 29.5 mttm -89.46 -42.2 11.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.088 -1.007 . . . . 0.0 109.402 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -103.4 179.38 4.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.029 -1.045 . . . . 0.0 109.6 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -101.18 172.91 6.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.978 -1.077 . . . . 0.0 109.438 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' HA ' ' N3 ' ' B' ' 45' ' ' ' C' . 2.5 p -75.59 136.1 40.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.067 -1.021 . . . . 0.0 109.672 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.7 -28.3 36.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.09 -1.006 . . . . 0.0 110.285 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.788 ' CD1' HD23 ' A' ' 40' ' ' LEU . 1.2 pp -57.1 -25.34 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.578 -1.326 . . . . 0.0 109.64 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -71.19 -43.06 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.515 -1.365 . . . . 0.0 107.58 177.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.38 -34.52 48.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.191 -0.943 . . . . 0.0 110.227 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -75.88 -33.12 59.95 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.659 -1.275 . . . . 0.0 111.46 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.403 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.9 mmt -64.53 -37.41 87.45 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.193 -0.942 . . . . 0.0 109.725 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -50.81 -36.44 37.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.841 -1.162 . . . . 0.0 108.86 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 99' ' ' THR . . . 150.91 80.93 0.03 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.407 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.0 t 38.79 48.22 1.31 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.734 -0.863 . . . . 0.0 111.182 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.98 95.39 1.17 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.984 -1.073 . . . . 0.0 109.149 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.086 -1.009 . . . . 0.0 109.146 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.738 0 O4'-C1'-N19 110.925 2.725 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 O4'-C1'-N19 111.085 2.885 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.17 2.97 . 0.212 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 110.994 2.794 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.427 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.058 2.858 . 0.333 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.427 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 O4'-C1'-N19 110.823 2.623 . 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.488 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 111.338 3.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.488 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.111 0 O4'-C1'-N19 111.592 3.392 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.022 2.822 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.307 0 O4'-C1'-N19 111.289 3.089 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.005 2.805 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C3'-C2'-C1' 104.125 2.916 . 0.469 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.472 ' N4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.036 0 C5'-C4'-C3' 111.553 -2.631 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.942 2.742 . 0.898 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.006 2.806 . 0.2 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.09 2.89 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.121 0 O4'-C1'-N19 111.162 2.962 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 O4'-C1'-N19 111.035 2.835 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.885 0 O4'-C1'-N19 111.003 2.803 . 0.453 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 O4'-C1'-N19 110.993 2.793 . 0.19 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.896 0 O4'-C1'-N19 110.839 2.639 . 0.012 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.492 " H2'" HE22 ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 110.817 2.617 . 0.069 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.809 0 O4'-C1'-N19 111.039 2.839 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.522 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C1'-N19 110.959 2.759 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.522 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 O4'-C1'-N19 110.992 2.792 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.095 0 O4'-C1'-N19 111.494 3.294 . 0.272 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 110.873 2.673 . 0.184 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.064 2.864 . 0.116 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O4'-C1'-N19 111.132 2.932 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 O4'-C1'-N19 110.806 2.606 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t -144.43 86.93 7.89 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.02 -1.05 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.58 111.74 3.2 Favored 'Trans proline' 0 C--N 1.323 -0.779 0 C-N-CA 121.82 1.68 . . . . 0.0 110.325 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.75 -37.49 22.58 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.036 -1.04 . . . . 0.0 109.98 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 5' ' ' THR . 12.8 m -137.25 39.61 2.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.796 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.85 93.65 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.973 -1.079 . . . . 0.0 109.504 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.15 131.65 12.06 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 110.302 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -99.63 -170.74 1.94 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.007 -1.058 . . . . 0.0 109.313 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.39 33.94 2.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.896 -1.128 . . . . 0.0 110.042 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' VAL . 85.2 m -167.98 127.03 1.25 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.89 -1.131 . . . . 0.0 109.965 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.638 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.8 pt -92.17 172.38 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.971 -1.081 . . . . 0.0 109.166 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 53' ' ' GLN . 27.2 t80 -131.76 143.71 50.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.984 -1.073 . . . . 0.0 110.051 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 29' ' ' LEU . 3.2 mt -124.79 146.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 108.915 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.87 -179.12 5.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.061 -1.024 . . . . 0.0 109.841 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m120 57.23 50.2 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 0.0 109.903 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 53' ' ' GLN . 38.6 mt -93.45 -177.74 4.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.937 -1.102 . . . . 0.0 109.251 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.8 150.25 22.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.754 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.29 38.69 2.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -115.36 -57.47 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.941 -1.099 . . . . 0.0 109.315 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.018 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.6 mp -55.52 155.98 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.188 -0.945 . . . . 0.0 108.735 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.53 -168.53 1.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.54 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -83.97 -35.18 24.14 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.903 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -68.92 -38.01 79.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 6.4 mm-40 -72.27 -43.57 64.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.112 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -50.7 -44.39 58.03 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.109 -0.995 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -41.88 98.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.978 -1.076 . . . . 0.0 109.639 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.448 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -74.74 -50.49 17.23 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.659 -1.276 . . . . 0.0 110.639 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 13' ' ' ILE . 55.4 mt -56.44 -25.88 52.0 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.956 -1.09 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -83.61 -31.93 26.0 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.558 -1.339 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.3 72.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.757 -1.214 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.685 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -85.68 -53.07 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.837 -1.165 . . . . 0.0 110.915 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 41.7 m-85 -67.96 -14.74 63.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.951 -1.093 . . . . 0.0 112.113 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 t -79.85 -34.71 39.08 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.286 -1.509 . . . . 0.0 110.751 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -49.36 -31.14 8.77 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.677 -1.265 . . . . 0.0 110.954 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -71.52 -56.88 5.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.649 -1.282 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.07 -123.37 1.1 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.77 141.76 50.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.996 -1.296 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.36 115.24 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.541 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 59' ' ' LYS . 95.7 mt -59.12 -42.36 90.39 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -176.74 159.04 1.75 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.37 122.36 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.023 -1.048 . . . . 0.0 109.137 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.18 130.02 44.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.971 -1.081 . . . . 0.0 109.784 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.91 160.71 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.021 -1.049 . . . . 0.0 108.624 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.0 m -127.51 114.88 18.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.915 -1.116 . . . . 0.0 109.764 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -97.93 -29.97 13.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.033 -1.042 . . . . 0.0 111.028 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -48.22 170.51 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.644 -1.285 . . . . 0.0 110.517 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 0.9 OUTLIER -75.88 -52.12 11.02 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.029 -1.044 . . . . 0.0 109.759 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -50.39 -37.19 36.2 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.958 -1.089 . . . . 0.0 110.16 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.498 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 16.6 mtp -113.42 57.35 0.68 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.979 -1.076 . . . . 0.0 109.052 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.2 ttt-85 -105.21 157.74 17.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 0.0 109.676 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.01 34.83 73.75 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.7 pt20 -155.4 174.81 14.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.881 -1.364 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 171.86 11.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -131.57 130.31 42.09 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.004 -1.06 . . . . 0.0 108.932 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 10' ' ' THR . 25.7 t -113.34 141.54 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.88 -1.138 . . . . 0.0 109.653 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' ILE . 10.5 mt -119.55 125.63 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 109.263 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.38 150.51 23.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.066 . . . . 0.0 109.532 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' A' ' 40' ' ' LEU . 15.2 tttt -61.68 -42.66 99.24 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.019 -1.051 . . . . 0.0 108.98 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.13 145.29 38.86 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.158 -0.964 . . . . 0.0 109.195 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.58 -37.52 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.992 -1.068 . . . . 0.0 109.793 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -33.19 70.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.992 -1.068 . . . . 0.0 110.396 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 m -60.34 -39.92 88.82 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.669 -1.269 . . . . 0.0 109.796 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.95 -27.34 61.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.929 -1.107 . . . . 0.0 109.58 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.55 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -68.01 -32.61 73.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.874 -1.141 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.01 -39.04 43.39 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.716 -1.24 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.57 80.35 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.939 -1.101 . . . . 0.0 109.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -39.07 64.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.908 -1.12 . . . . 0.0 109.853 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HD2' HG22 ' A' ' 65' ' ' THR . 5.0 mtp180 -75.4 -8.55 56.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.929 -1.107 . . . . 0.0 111.465 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t -120.16 17.47 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.314 -1.491 . . . . 0.0 110.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.73 40.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.506 -1.371 . . . . 0.0 109.578 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.46 117.69 20.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.093 -1.005 . . . . 0.0 109.183 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.82 60.1 9.54 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -118.7 155.97 52.0 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.183 -1.186 . . . . 0.0 109.522 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.55 130.8 11.03 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.837 1.691 . . . . 0.0 110.147 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' HD11 ' A' ' 32' ' ' ILE . 16.3 t80 -125.83 -63.51 1.12 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.034 -1.041 . . . . 0.0 109.061 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 1.018 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.3 m-85 -115.6 67.23 0.7 Allowed 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.129 -0.982 . . . . 0.0 109.436 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 59.28 40.96 20.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.549 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -176.45 155.9 1.43 Allowed Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.005 -1.06 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -77.88 142.85 20.3 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.827 1.685 . . . . 0.0 110.043 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.6 141.89 27.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 110.097 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -107.54 147.04 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.042 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.14 138.4 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.091 -1.006 . . . . 0.0 110.006 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 140.18 35.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 108.73 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 15.6 m-85 -52.26 169.47 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.742 -1.224 . . . . 0.0 109.538 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.55 177.56 6.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.041 -1.037 . . . . 0.0 109.317 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -89.42 -45.85 9.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.03 -1.044 . . . . 0.0 109.4 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 p -103.9 179.27 4.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.273 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.6 m-20 -89.45 171.78 9.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.082 . . . . 0.0 109.343 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -76.35 144.7 39.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.024 -1.048 . . . . 0.0 109.235 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.47 -30.29 30.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 110.312 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 57' ' ' ILE . 1.4 pp -56.6 -26.48 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.557 -1.34 . . . . 0.0 109.418 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -68.79 -45.76 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.25 -34.65 47.02 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.34 -0.85 . . . . 0.0 110.211 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' HG2' HG22 ' A' ' 101' ' ' VAL . 29.8 mttt -65.4 -41.82 93.24 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.821 -1.174 . . . . 0.0 110.515 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.445 ' HE3' ' N ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -65.89 -30.84 71.51 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.486 -0.759 . . . . 0.0 110.706 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -51.78 -38.95 57.67 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.4 -63.91 0.04 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 175.67 51.71 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.167 -1.196 . . . . 0.0 110.02 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.35 80.28 7.53 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.959 -1.088 . . . . 0.0 108.866 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.617 HG22 ' HG2' ' A' ' 95' ' ' LYS . 81.4 t . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.33 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 O4'-C1'-N19 110.954 2.754 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 O4'-C1'-N19 111.102 2.902 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.991 2.791 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.879 0 O4'-C1'-N19 111.206 3.006 . 0.448 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C3'-C2'-C1' 104.466 3.295 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.504 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.6 3.4 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.531 ' C4 ' ' N4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.225 0 O4'-C1'-N19 111.167 2.967 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.535 ' H42' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 110.974 2.774 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.493 ' N3 ' ' C2 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 110.837 2.637 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C3'-C2'-C1' 104.516 3.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . 0.437 ' OP2' ' N4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C3'-C2'-C1' 104.293 3.103 . 0.016 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.538 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C5'-C4'-C3' 111.52 -2.653 . 0.263 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.546 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C3'-C2'-C1' 104.157 2.952 . 0.447 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.546 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.044 2.844 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.494 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.951 0 O4'-C1'-N19 110.995 2.795 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.535 ' N6 ' ' H42' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 111.0 2.8 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . 0.537 ' N4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.124 2.924 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.537 ' C6 ' ' N4 ' ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 O4'-C1'-N19 111.047 2.847 . 0.516 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 111.013 2.813 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.963 0 O4'-C1'-N19 110.87 2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.444 ' N1 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 C5'-C4'-C3' 111.52 -2.653 . 0.183 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.46 " O2'" ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.432 -1.712 0 O4'-C1'-N19 111.019 2.819 . 0.257 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.526 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.834 0 O4'-C1'-N19 110.965 2.765 . 0.165 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.526 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-C3' 111.6 -2.6 . 0.296 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.055 2.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.035 0 O4'-C1'-N19 111.449 3.249 . 0.583 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.926 2.726 . 0.129 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.351 3.151 . 0.324 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 110.912 2.712 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.0 t -141.96 85.19 11.25 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 120.965 -1.084 . . . . 0.0 109.508 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.06 86.79 1.6 Allowed 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.838 1.692 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.45 155.31 36.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.019 -1.051 . . . . 0.0 109.437 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.75 82.85 2.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 109.532 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.78 158.62 74.35 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.441 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -77.82 148.56 25.48 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.736 1.624 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -134.06 -69.83 0.53 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.836 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER 171.51 -45.57 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.9 m -103.23 129.5 50.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.538 -0.726 . . . . 0.0 109.553 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' A' ' 64' ' ' ALA . 8.0 pt -89.81 164.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.132 -0.98 . . . . 0.0 108.992 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 68.1 t80 -138.02 117.41 12.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.62 HD11 ' CE2' ' A' ' 33' ' ' PHE . 5.5 mt -91.31 155.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.027 -1.046 . . . . 0.0 109.424 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -142.6 175.71 9.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.97 -1.081 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 58.91 55.83 4.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 0.0 109.377 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.62 -174.21 2.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.074 -1.016 . . . . 0.0 109.305 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -91.71 152.38 20.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.004 -1.06 . . . . 0.0 108.942 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.45 39.25 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.0 110.072 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -148.57 33.88 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.985 -1.072 . . . . 0.0 110.223 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.862 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.9 mm -103.36 153.84 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.882 -1.136 . . . . 0.0 109.79 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -86.83 -176.16 5.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 108.653 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -87.64 -39.74 14.78 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.904 -1.123 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.67 -29.16 58.97 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 43.2 mm-40 -72.15 -47.53 50.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.127 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.824 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -66.05 -33.06 74.93 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.883 -1.136 . . . . 0.0 110.481 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.83 -23.75 58.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.81 -1.181 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -78.76 -32.97 46.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.506 -1.371 . . . . 0.0 109.955 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 50.4 m -76.7 -38.24 54.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.754 -1.216 . . . . 0.0 110.227 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 32' ' ' ILE . 10.5 mt -70.98 -41.07 71.48 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.907 -1.121 . . . . 0.0 109.717 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.79 -32.11 65.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.1 -1.0 . . . . 0.0 110.246 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.03 -69.22 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.892 -1.13 . . . . 0.0 110.173 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.1 -61.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 112.353 -178.349 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 56' ' ' VAL . 32.4 m-85 -61.64 -32.27 72.42 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.706 -1.246 . . . . 0.0 111.136 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.7 t -60.78 -33.36 72.85 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.616 -1.302 . . . . 0.0 110.592 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -48.02 -36.96 13.75 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.729 -1.232 . . . . 0.0 110.932 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.08 71.22 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.946 -1.096 . . . . 0.0 110.194 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.67 -151.83 19.03 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -123.23 149.07 45.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.086 -1.243 . . . . 0.0 109.399 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 34' ' ' SER . 30.0 mt -99.56 130.56 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.08 -1.012 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.68 -41.44 23.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.001 -1.062 . . . . 0.0 109.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -166.52 157.44 12.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.095 -1.003 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.24 121.81 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 0.0 109.034 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.85 130.69 48.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.054 -1.029 . . . . 0.0 109.991 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.89 136.53 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.131 -0.98 . . . . 0.0 108.881 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.506 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 22.7 t -133.47 159.97 38.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.961 -1.087 . . . . 0.0 109.973 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -129.76 38.35 3.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.004 . . . . 0.0 109.623 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -89.17 166.52 13.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.928 -1.107 . . . . 0.0 108.83 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 1.9 tt -56.68 -40.83 76.25 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.879 -1.138 . . . . 0.0 109.663 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -72.84 -39.9 66.16 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.06 -1.025 . . . . 0.0 109.66 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.93 56.64 1.72 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.96 -1.088 . . . . 0.0 109.394 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' ' N1 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -109.68 129.29 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.97 -1.081 . . . . 0.0 109.459 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.94 41.11 41.98 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 pt20 -162.11 153.47 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.03 -1.276 . . . . 0.0 110.028 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.2 170.43 15.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.001 -1.062 . . . . 0.0 109.801 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 89.6 m-85 -130.08 134.9 47.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.089 -1.007 . . . . 0.0 109.19 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.676 HG21 ' CE2' ' A' ' 33' ' ' PHE . 61.8 t -130.26 148.34 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.965 -1.085 . . . . 0.0 109.525 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.875 HD13 ' CD1' ' A' ' 92' ' ' ILE . 9.8 mt -125.48 146.95 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.105 -0.997 . . . . 0.0 108.907 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 59.0 m-85 -119.88 154.36 34.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.996 -1.065 . . . . 0.0 109.522 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -53.11 -40.64 64.32 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.007 -1.058 . . . . 0.0 109.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.44 177.03 6.41 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.134 -0.979 . . . . 0.0 109.492 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' ND1' ' A' ' 9' ' ' HIS . 41.1 t -79.84 -37.51 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.044 -1.035 . . . . 0.0 109.817 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.3 p -59.64 -35.9 75.32 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.971 -1.081 . . . . 0.0 110.285 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.448 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 3.5 m -59.39 -37.99 79.37 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.85 -1.156 . . . . 0.0 110.199 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.12 -28.91 61.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.881 -1.137 . . . . 0.0 109.524 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.534 HG23 ' OH ' ' A' ' 85' ' ' TYR . 5.4 m -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.916 -1.115 . . . . 0.0 109.388 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.66 -42.49 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.982 -1.074 . . . . 0.0 108.862 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.28 46.25 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.086 -1.008 . . . . 0.0 110.203 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.854 HD12 HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -79.47 -37.72 36.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.74 -1.225 . . . . 0.0 109.801 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -94.57 56.2 2.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.863 -1.148 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 m -154.11 -58.38 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.138 -0.977 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 80.6 mtp -106.38 37.58 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.074 -1.016 . . . . 0.0 109.458 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.75 98.95 0.06 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.94 -1.1 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.17 62.67 1.79 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.4 m-85 -112.44 163.56 17.51 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.205 -1.174 . . . . 0.0 109.893 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.66 124.45 6.32 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.916 1.744 . . . . 0.0 110.766 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -137.85 109.84 7.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.993 -1.067 . . . . 0.0 108.77 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.862 ' CD2' HD12 ' A' ' 20' ' ' ILE . 71.4 m-85 72.81 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 117.859 0.299 . . . . 0.0 110.419 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -154.9 47.59 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.572 -1.33 . . . . 0.0 110.355 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 179.84 153.44 0.62 Allowed Pre-proline 0 N--CA 1.5 2.055 0 O-C-N 120.98 -1.075 . . . . 0.0 110.2 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.03 146.75 25.98 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.728 1.618 . . . . 0.0 109.986 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -139.33 127.61 22.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.908 -1.12 . . . . 0.0 110.269 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -94.99 153.87 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.854 HG22 HD12 ' A' ' 68' ' ' LEU . 57.9 mt -110.91 135.48 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.019 . . . . 0.0 110.84 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.466 ' CA ' HD11 ' A' ' 68' ' ' LEU . 23.2 pt20 -145.08 136.33 25.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' OH ' HG23 ' A' ' 65' ' ' THR . 14.7 m-85 -46.83 167.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.962 -1.087 . . . . 0.0 110.928 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.56 -169.71 2.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.159 -0.963 . . . . 0.0 109.424 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 9.1 mmtp -90.89 -46.7 8.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.968 -1.083 . . . . 0.0 109.061 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -124.97 -179.39 4.53 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.46 -176.01 4.03 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.481 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 13.7 t -99.35 153.55 18.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.939 -1.101 . . . . 0.0 109.679 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -76.14 -28.63 57.48 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.038 -1.039 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' A' ' 57' ' ' ILE . 33.6 pt -60.26 -23.45 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.649 -1.282 . . . . 0.0 109.48 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.797 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER -74.84 -39.16 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.597 -1.314 . . . . 0.0 107.789 178.275 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.41 58.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -77.81 -30.8 51.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.749 -1.219 . . . . 0.0 111.472 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.43 ' HE3' ' N ' ' A' ' 96' ' ' MET . 29.4 mmt -66.35 -28.03 68.34 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.067 -1.021 . . . . 0.0 110.341 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.44 -34.72 7.57 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.775 -1.203 . . . . 0.0 109.09 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.69 -49.7 0.21 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.7 t 179.13 59.16 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.16 -1.2 . . . . 0.0 110.151 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -57.39 98.79 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.932 -1.105 . . . . 0.0 109.35 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 99' ' ' THR . 88.3 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 121.073 -1.017 . . . . 0.0 109.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-C3' 111.509 -2.661 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.919 0 O4'-C1'-N19 110.963 2.763 . 0.096 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.52 ' N3 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 O4'-C1'-N19 111.134 2.934 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.52 ' C6 ' ' N3 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 110.965 2.765 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.514 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.208 3.008 . 0.297 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.514 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 110.861 2.661 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 O4'-C1'-N19 111.75 3.55 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.211 0 O4'-C1'-N19 111.7 3.5 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 110.964 2.764 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.791 2.591 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.441 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 O4'-C1'-N19 111.207 3.007 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 C3'-C2'-C1' 104.172 2.968 . 0.298 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.441 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.04 0 C5'-C4'-C3' 111.684 -2.544 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 110.915 2.715 . 0.899 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.113 0 O4'-C1'-N19 111.1 2.9 . 0.64 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.524 ' C6 ' ' C6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.115 2.915 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.524 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 O4'-C1'-N19 111.079 2.879 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 110.969 2.769 . 0.377 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.526 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.886 0 O4'-C1'-N19 110.979 2.779 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.526 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 O4'-C1'-N19 111.276 3.076 . 0.388 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.787 0 O4'-C1'-N19 110.829 2.629 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.447 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.075 0 O4'-C1'-N19 110.851 2.651 . 0.047 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.449 ' H41' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 O4'--C1' 1.435 1.79 0 C5'-C4'-C3' 111.574 -2.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.537 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 111.5 -2.667 . 0.264 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.537 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 O4'-C1'-N19 111.198 2.998 . 0.275 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.175 2.975 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.288 0 O4'-C1'-N19 110.783 2.583 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 111.087 2.887 . 0.238 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 O4'-C1'-N19 111.078 2.878 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 110.823 2.623 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -115.5 85.91 14.27 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.065 -1.022 . . . . 0.0 109.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -77.89 124.84 7.0 Favored 'Trans proline' 0 C--N 1.324 -0.761 0 C-N-CA 121.87 1.713 . . . . 0.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -58.23 -179.18 0.05 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.964 -1.085 . . . . 0.0 109.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 115.8 15.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 109.413 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.36 136.37 24.4 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.986 -1.071 . . . . 0.0 108.856 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.63 152.57 29.57 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 121.49 1.46 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -135.97 -66.71 0.54 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.174 -0.954 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.44 -45.03 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.291 -0.881 . . . . 0.0 108.674 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -106.17 157.74 17.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.444 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' HB1' ' A' ' 64' ' ' ALA . 31.8 pt -116.15 163.68 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 83' ' ' ILE . 93.6 t80 -122.74 120.05 32.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.136 -0.977 . . . . 0.0 110.554 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.598 ' CG2' HD11 ' A' ' 16' ' ' LEU . 5.9 mt -96.66 137.33 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.037 -1.039 . . . . 0.0 108.498 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -133.44 160.89 36.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 109.648 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.15 49.42 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.141 . . . . 0.0 109.311 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.701 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.2 mp -85.07 -174.98 5.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.178 -0.951 . . . . 0.0 108.982 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 157.84 20.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.88 40.55 1.36 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -154.3 40.72 0.48 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.425 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 77' ' ' TYR . 4.2 mt -102.02 154.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 108.875 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -115.72 31.17 6.88 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.097 -1.041 . . . . 0.0 112.471 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.75 -73.28 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 O-C-N 121.422 -0.799 . . . . 0.0 112.07 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.27 -27.48 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.624 -1.298 . . . . 0.0 109.364 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 5.1 tt0 -71.14 -41.93 69.82 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.31 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD21 ' CD2' ' A' ' 16' ' ' LEU . 4.9 tp -69.24 -20.71 63.95 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.027 -1.046 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -86.25 -28.9 23.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.531 -1.356 . . . . 0.0 110.101 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -77.57 -29.7 52.27 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.005 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 54.8 m -87.59 -37.51 16.76 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.794 -1.191 . . . . 0.0 110.221 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 25' ' ' LEU . 86.4 mt -71.96 -53.77 12.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.857 -1.152 . . . . 0.0 109.488 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -53.35 -27.86 25.75 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.213 -0.929 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.19 -69.89 0.54 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.681 -1.262 . . . . 0.0 110.172 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.92 -60.07 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.031 -1.043 . . . . 0.0 112.017 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 32' ' ' ILE . 87.8 m-85 -59.28 -36.91 76.41 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.786 -1.196 . . . . 0.0 110.601 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -54.42 -37.92 65.67 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.783 -1.198 . . . . 0.0 110.449 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -51.19 -45.91 61.96 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.74 -1.225 . . . . 0.0 110.341 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 98.6 m-85 -57.28 -59.67 4.78 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.077 -1.015 . . . . 0.0 109.797 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 -126.95 1.63 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.68 138.01 54.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.298 . . . . 0.0 109.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -101.35 126.11 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 0.0 109.23 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HB2' ' A' ' 59' ' ' LYS . 3.0 tp -78.08 -40.48 38.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.038 -1.038 . . . . 0.0 109.509 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.73 141.86 0.87 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.082 -1.012 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 56' ' ' VAL . 41.6 mt -113.64 128.67 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -100.41 127.58 46.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.067 -1.021 . . . . 0.0 109.637 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.94 134.14 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.457 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 0.3 OUTLIER -128.7 163.42 25.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.834 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -135.92 40.03 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 109.557 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 p -91.53 162.05 14.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 109.379 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.94 -38.88 73.54 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.988 -1.07 . . . . 0.0 110.005 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -75.86 -37.47 58.9 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.889 -1.132 . . . . 0.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtp -104.41 60.47 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.908 -1.12 . . . . 0.0 109.323 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 8.1 mtt-85 -109.83 139.79 44.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.038 -1.039 . . . . 0.0 109.567 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.78 37.58 84.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -166.03 142.38 5.08 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.939 -1.33 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.57 -171.23 3.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.977 -1.077 . . . . 0.0 109.887 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 27.8 m-85 -140.42 142.37 35.44 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 42' ' ' ILE . 17.3 t -125.65 109.21 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.944 -1.098 . . . . 0.0 109.404 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 92' ' ' ILE . 23.4 mt -89.99 133.99 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.963 -1.086 . . . . 0.0 109.556 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.02 137.57 51.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.154 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 40' ' ' LEU . 2.3 ttpm? -49.49 -38.25 29.39 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.079 -1.013 . . . . 0.0 109.915 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -112.8 153.46 27.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.005 -1.059 . . . . 0.0 109.359 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.39 -37.28 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.954 -1.091 . . . . 0.0 109.761 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 p -60.57 -29.87 69.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.985 -1.072 . . . . 0.0 110.492 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -35.03 79.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.59 -30.14 56.85 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.739 -1.225 . . . . 0.0 109.677 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.51 HG23 ' OH ' ' A' ' 85' ' ' TYR . 39.5 m -70.23 -31.24 68.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.76 -38.68 38.03 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.788 -1.195 . . . . 0.0 109.37 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 36' ' ' PHE . . . -65.36 -29.11 69.8 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.935 -1.103 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -82.91 -35.63 25.94 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.691 -1.255 . . . . 0.0 110.555 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -65.69 -36.87 84.86 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.866 -1.146 . . . . 0.0 110.465 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -85.29 -29.59 24.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.966 -1.084 . . . . 0.0 110.776 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.57 36.58 2.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.727 -1.233 . . . . 0.0 109.928 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.02 93.62 5.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.95 -1.094 . . . . 0.0 109.104 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.11 61.13 2.05 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -127.14 161.7 52.51 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.065 -1.256 . . . . 0.0 109.404 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.1 139.32 16.96 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.844 1.696 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 43.9 t80 -135.03 -60.89 0.76 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.007 -1.058 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.0 m-85 -113.51 66.61 0.66 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.08 -1.013 . . . . 0.0 109.82 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.9 42.21 13.3 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.997 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.42 154.79 0.53 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.882 -1.136 . . . . 0.0 110.217 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.78 148.45 25.48 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.932 1.755 . . . . 0.0 109.993 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -155.03 138.87 16.24 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.947 -1.096 . . . . 0.0 110.374 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -108.75 147.62 31.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.083 -1.01 . . . . 0.0 108.889 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG22 HD11 ' A' ' 68' ' ' LEU . 32.6 mt -116.32 146.3 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.044 . . . . 0.0 110.37 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.449 ' NE2' ' H41' ' B' ' 43' ' ' ' C' . 22.3 pt20 -142.23 139.54 32.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 108.606 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' OH ' HG23 ' A' ' 65' ' ' THR . 22.0 m-85 -45.92 138.94 4.61 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.058 -1.026 . . . . 0.0 110.792 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.57 -171.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 12.0 mmtp -81.78 -49.64 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.954 -1.092 . . . . 0.0 109.616 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 p -119.56 179.62 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.974 -1.079 . . . . 0.0 109.833 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 18.4 m-20 -73.04 -173.03 1.16 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.083 -1.01 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 4.8 t -95.82 157.48 15.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.23 -31.03 17.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.09 -1.006 . . . . 0.0 110.35 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -57.52 -28.55 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.659 -1.276 . . . . 0.0 110.624 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.9 mp -80.77 -30.84 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.304 0 O-C-N 120.455 -1.403 . . . . 0.0 109.307 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.04 -30.83 11.58 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.61 -1.306 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -92.11 -26.8 18.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.689 -1.257 . . . . 0.0 111.8 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.407 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.9 mmt -66.6 -29.01 68.97 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.96 -1.088 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -48.25 -34.62 10.6 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.751 -1.218 . . . . 0.0 108.91 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.26 -52.48 0.2 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 t 178.97 50.12 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.069 -1.254 . . . . 0.0 110.191 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.2 t80 44.8 75.8 0.1 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.1 -1.0 . . . . 0.0 111.089 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.5 2.052 0 O-C-N 121.0 -1.062 . . . . 0.0 110.158 -179.729 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 O4'-C1'-N19 110.93 2.73 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.051 2.851 . 0.365 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O4'-C1'-N19 111.005 2.805 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 O4'-C1'-N19 110.918 2.718 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.102 0 O4'-C1'-N19 111.047 2.847 . 0.145 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.461 ' H62' ' HB2' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C5'-C4'-C3' 111.642 -2.572 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.532 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 104.58 3.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.532 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.697 3.497 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.424 ' C4 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 110.944 2.744 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.426 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.858 2.658 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.443 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.065 2.865 . 0.048 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C3'-C2'-C1' 104.196 2.996 . 0.434 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.443 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.095 0 C5'-C4'-C3' 111.613 -2.591 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.896 2.696 . 0.891 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 O4'-C1'-N19 110.999 2.799 . 0.551 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.416 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 O4'-C1'-N19 111.053 2.853 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.416 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 O4'-C1'-N19 111.078 2.878 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . 0.441 ' N3 ' ' O6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.042 2.842 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.471 ' H61' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 O4'-C1'-N19 110.977 2.777 . 0.124 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.116 0 O4'-C1'-N19 111.45 3.25 . 0.444 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.84 0 O4'-C1'-N19 110.991 2.791 . 0.041 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.438 ' C4 ' ' O ' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 110.924 2.724 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.43 ' N3 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.943 0 O4'-C1'-N19 110.815 2.615 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C2 ' ' C2 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.746 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C2 ' ' C2 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C1'-N19 110.989 2.789 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.272 3.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 111.346 3.146 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.044 2.844 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.112 0 O4'-C1'-N19 111.212 3.012 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 110.835 2.635 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.6 p -148.64 63.54 7.12 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.094 -1.004 . . . . 0.0 109.559 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.87 -171.14 1.11 Allowed 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.852 1.701 . . . . 0.0 110.408 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -56.23 174.24 0.14 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.983 -1.073 . . . . 0.0 109.542 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -101.19 103.88 14.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.021 -1.05 . . . . 0.0 109.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -57.64 157.68 13.61 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.99 -1.069 . . . . 0.0 109.365 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.5 Cg_endo -77.37 119.41 4.93 Favored 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.792 1.661 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.768 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m-80 -100.67 -175.84 3.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.025 . . . . 0.0 109.547 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.43 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t60 -90.99 -39.39 12.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.065 -1.022 . . . . 0.0 109.629 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 56' ' ' VAL . 82.5 m -104.85 140.35 38.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.928 -1.107 . . . . 0.0 109.718 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.3 pt -97.24 168.23 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.992 . . . . 0.0 109.084 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 30.8 t80 -142.15 122.93 14.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.106 -0.996 . . . . 0.0 109.084 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.683 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.8 mt -96.2 153.19 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.011 -1.056 . . . . 0.0 109.242 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -142.1 173.12 11.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.982 -1.074 . . . . 0.0 109.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.38 53.22 5.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.991 -1.068 . . . . 0.0 109.222 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 13' ' ' ILE . 49.1 mt -94.27 -174.58 3.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.996 -1.065 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.654 ' HB3' HD11 ' A' ' 20' ' ' ILE . 4.1 t30 -85.82 149.54 25.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.989 -1.069 . . . . 0.0 109.419 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -102.35 38.43 1.69 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.065 -1.022 . . . . 0.0 109.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -151.74 36.56 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.934 -1.104 . . . . 0.0 109.988 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.917 HD12 ' CD2' ' A' ' 77' ' ' TYR . 6.7 mm -103.52 158.92 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.042 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -83.5 179.99 7.5 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -83.29 -41.91 17.75 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 108.899 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.96 -16.38 60.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.137 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.666 ' HB3' HG22 ' A' ' 20' ' ' ILE . 3.6 tp10 -81.7 -43.19 18.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.665 -1.272 . . . . 0.0 110.219 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 29' ' ' LEU . 6.1 mt -69.59 -38.21 77.23 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 118.602 -1.239 . . . . 0.0 109.876 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.13 -29.96 63.26 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.895 -1.128 . . . . 0.0 110.568 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -75.62 -26.81 58.12 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.691 -1.256 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -36.2 24.14 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.5 mt -70.66 -41.61 71.88 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.839 -1.163 . . . . 0.0 109.241 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -65.17 -28.25 69.27 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.065 -1.022 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.6 -69.78 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.635 -1.29 . . . . 0.0 109.655 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -59.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.985 -1.072 . . . . 0.0 111.712 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -58.7 -32.85 69.54 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.693 -1.254 . . . . 0.0 111.263 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -63.18 -34.69 78.18 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.657 -1.277 . . . . 0.0 111.151 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -49.96 -30.46 10.45 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.627 -1.295 . . . . 0.0 111.07 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 38.2 m-85 -81.05 -51.8 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.735 -1.228 . . . . 0.0 109.381 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 -175.7 26.06 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.89 143.81 39.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.069 -1.254 . . . . 0.0 109.491 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.6 mt -104.47 117.18 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 109.274 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' LYS . 7.0 mp -58.52 -42.88 88.73 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.036 -1.04 . . . . 0.0 109.587 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.51 163.39 5.43 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.108 -0.995 . . . . 0.0 110.525 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.4 mt -139.4 139.05 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.195 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.501 HD22 " H1'" ' B' ' 45' ' ' ' C' . 3.8 mp -124.87 145.95 49.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.932 -1.105 . . . . 0.0 109.694 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.45 129.77 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.115 -0.991 . . . . 0.0 109.367 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.443 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 51.3 m -100.64 164.46 11.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.997 -1.064 . . . . 0.0 109.697 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HB2' ' H62' ' B' ' 24' ' ' ' A' . 1.8 mmm-85 -150.03 37.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 110.107 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 p -92.5 170.22 9.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.95 -1.094 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 7.1 tt -56.86 -49.34 75.79 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.864 -1.148 . . . . 0.0 109.605 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' O ' ' C4 ' ' B' ' 42' ' ' ' G' . 4.2 mmtm -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.063 -1.023 . . . . 0.0 109.868 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 mtp -108.93 65.5 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.868 -1.145 . . . . 0.0 109.703 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' NH2' ' H61' ' B' ' 39' ' ' ' A' . 6.9 mtt-85 -99.14 49.86 0.95 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.119 . . . . 0.0 109.669 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.22 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 16' ' ' LEU . 3.4 pt20 -157.51 175.77 13.52 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.008 -1.289 . . . . 0.0 110.084 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.96 20.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.9 -1.125 . . . . 0.0 110.451 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 48.9 m-85 -132.92 133.3 43.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 109.23 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 10' ' ' THR . 41.0 t -124.04 139.18 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.007 -1.058 . . . . 0.0 109.685 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 92' ' ' ILE . 42.1 mt -114.68 119.68 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.963 -1.086 . . . . 0.0 109.061 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 5.2 m-85 -96.15 155.65 16.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.965 -1.084 . . . . 0.0 109.529 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HA ' HD13 ' A' ' 40' ' ' LEU . 33.7 tttt -54.79 -38.95 67.91 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.981 -1.074 . . . . 0.0 109.909 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -133.91 164.12 28.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.968 -1.082 . . . . 0.0 109.854 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' ASN . 57.7 t -63.95 -36.36 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.112 -0.993 . . . . 0.0 109.843 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 p -61.95 -38.4 88.36 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.021 -1.049 . . . . 0.0 109.817 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.5 m -58.12 -33.61 69.32 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.93 -30.26 50.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.792 -1.192 . . . . 0.0 109.904 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.585 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -62.1 -44.6 96.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.899 -1.126 . . . . 0.0 109.614 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -42.14 72.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.985 -1.072 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -56.83 -25.97 57.27 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.999 -1.063 . . . . 0.0 110.802 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.552 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.52 -31.42 17.64 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.553 -1.342 . . . . 0.0 111.108 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -67.73 -57.53 6.19 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.716 -1.24 . . . . 0.0 109.623 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 59.8 p -64.55 -30.43 71.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.152 -0.968 . . . . 0.0 110.647 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -100.62 32.84 2.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.643 -1.285 . . . . 0.0 110.563 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -77.09 102.23 6.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.844 -1.16 . . . . 0.0 108.269 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.75 71.17 1.08 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -116.65 172.51 3.79 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.081 -1.246 . . . . 0.0 110.014 -179.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.2 Cg_endo -78.38 144.23 20.22 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 121.957 1.771 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -157.58 101.54 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.441 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.917 ' CD2' HD12 ' A' ' 20' ' ' ILE . 84.1 m-85 60.17 51.21 5.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.933 . . . . 0.0 109.933 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 t70 55.3 63.73 2.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.0 110.247 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -178.84 137.69 0.34 Allowed Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 120.907 -1.121 . . . . 0.0 110.243 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.99 132.84 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 C-N-CA 121.539 1.493 . . . . 0.0 109.947 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -139.52 132.38 29.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.994 -1.066 . . . . 0.0 110.151 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 -96.69 151.4 19.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 0.0 108.61 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 HD11 ' A' ' 68' ' ' LEU . 68.8 mt -109.6 136.1 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.035 . . . . 0.0 110.379 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -130.71 140.18 50.33 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.585 ' OH ' HG23 ' A' ' 65' ' ' THR . 10.4 m-85 -50.61 173.99 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.828 -1.17 . . . . 0.0 110.095 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 179.24 5.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.643 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HG3' ' N3 ' ' B' ' 43' ' ' ' C' . 48.2 mttm -87.19 -38.7 16.15 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.072 -1.017 . . . . 0.0 109.685 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.6 p -136.73 179.72 6.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.904 -1.123 . . . . 0.0 110.035 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.53 179.96 2.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.166 -0.959 . . . . 0.0 109.432 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.466 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.3 OUTLIER -90.23 171.38 9.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.025 -1.047 . . . . 0.0 109.554 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.54 -29.96 25.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.074 -1.016 . . . . 0.0 110.205 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.806 HD11 HG21 ' A' ' 57' ' ' ILE . 32.9 pt -63.8 -21.84 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.703 -1.248 . . . . 0.0 109.153 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.779 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER -75.56 -34.61 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 120.571 -1.331 . . . . 0.0 108.103 178.143 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.82 63.49 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.076 -1.015 . . . . 0.0 110.431 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -89.22 -17.67 28.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.54 -1.35 . . . . 0.0 112.567 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 92' ' ' ILE . 31.9 mmt -67.07 -26.81 66.92 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.835 -1.166 . . . . 0.0 110.496 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -47.82 -34.4 8.62 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 120.672 -1.268 . . . . 0.0 109.048 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.53 -51.37 0.21 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.5 t -177.9 48.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.089 -1.242 . . . . 0.0 110.292 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 42.73 56.84 3.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.196 -0.94 . . . . 0.0 111.216 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 101' ' ' VAL . 11.5 p . . . . . 0 N--CA 1.499 2.013 0 O-C-N 120.978 -1.076 . . . . 0.0 110.303 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C3'-C2'-C1' 104.187 2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.936 0 O4'-C1'-N19 111.018 2.818 . 0.015 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O4'-C1'-N19 110.981 2.781 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.537 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 110.947 2.747 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.481 ' C6 ' ' C5 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.18 2.98 . 0.374 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.491 ' H62' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C3'-C2'-C1' 104.668 3.52 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.803 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 104.34 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.214 0 O4'-C1'-N19 111.066 2.866 . 0.141 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.475 3.275 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.019 2.819 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.445 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C3'-C2'-C1' 104.507 3.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C3'-C2'-C1' 104.22 3.022 . 0.034 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.552 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.963 0 C5'-C4'-C3' 111.606 -2.596 . 0.441 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.552 ' N2 ' ' N1 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C3'-C2'-C1' 104.056 2.84 . 0.427 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.547 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.25 0 O4'-C1'-N19 111.088 2.888 . 0.219 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.409 ' N1 ' ' C5 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.212 3.012 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.409 ' C5 ' ' N1 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C3'-C2'-C1' 104.203 3.003 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O4'-C1'-N19 110.909 2.709 . 0.228 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.545 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C5'-C4'-C3' 111.565 -2.623 . 0.303 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.545 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 111.441 3.241 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C3'-C2'-C1' 104.098 2.887 OUTLIER-EPSILON 0.06 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.439 ' C4 ' ' O ' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.43 -1.91 0 O4'-C1'-N19 110.915 2.715 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.469 ' H41' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 O4'--C1' 1.437 1.878 0 O4'-C1'-N19 110.838 2.638 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.543 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.612 1.888 0 O4'-C1'-N19 111.046 2.846 . 0.019 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.543 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.586 -2.609 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.378 3.178 . 0.243 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 110.95 2.75 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.537 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.193 2.993 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.037 2.837 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C5'-C4'-C3' 111.74 -2.507 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.7 156.04 80.52 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.036 -1.04 . . . . 0.0 109.523 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.23 178.75 7.2 Favored 'Trans proline' 0 C--N 1.322 -0.823 0 C-N-CA 121.787 1.658 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -57.87 -178.2 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.012 -1.055 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 5' ' ' THR . 5.4 t -56.05 103.5 0.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -94.55 139.88 22.47 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 120.954 -1.092 . . . . 0.0 109.19 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.14 110.63 3.05 Favored 'Trans proline' 0 C--N 1.326 -0.634 0 C-N-CA 121.456 1.437 . . . . 0.0 110.169 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.4 m120 -91.31 -176.98 4.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.128 -0.982 . . . . 0.0 109.5 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -38.09 54.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 109.621 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 HG13 ' A' ' 57' ' ' ILE . 87.1 m -103.32 156.28 17.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.931 -1.106 . . . . 0.0 110.102 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.441 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -119.72 146.91 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.0 108.856 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 53' ' ' GLN . 24.3 t80 -121.66 119.91 33.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.4 mt -100.4 150.02 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 109.08 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -129.43 174.23 9.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.074 . . . . 0.0 109.69 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.4 t30 59.29 56.56 3.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.067 -1.021 . . . . 0.0 109.333 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 53' ' ' GLN . 7.7 mp -101.32 43.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.965 -1.084 . . . . 0.0 109.742 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . 30.2 t30 56.29 162.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.126 -0.984 . . . . 0.0 111.023 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.49 50.18 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.948 . . . . 0.0 109.461 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -153.08 37.89 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.974 -1.079 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.9 mm -91.47 154.1 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.061 -1.024 . . . . 0.0 109.449 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.84 28.44 7.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 111.189 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.4 -79.65 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.525 -0.734 . . . . 0.0 111.818 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -26.26 63.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.398 -1.439 . . . . 0.0 108.92 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.4 -41.86 88.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.013 -1.054 . . . . 0.0 109.795 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HB2' HG21 ' A' ' 20' ' ' ILE . 6.7 tp -68.81 -23.01 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.838 -1.164 . . . . 0.0 111.18 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -79.57 -32.76 42.07 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.512 -1.367 . . . . 0.0 110.149 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -35.63 66.05 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.883 -1.135 . . . . 0.0 109.863 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 15.6 m -74.39 -38.16 63.21 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.863 -1.148 . . . . 0.0 109.932 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.77 -34.24 77.4 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.921 -1.112 . . . . 0.0 110.358 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CB ' ' A' ' 34' ' ' SER . 8.5 t60 -71.77 -19.03 62.08 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.854 -1.154 . . . . 0.0 111.605 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -52.12 5.22 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.336 -1.477 . . . . 0.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -59.75 -48.5 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 110.569 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 33.5 m-85 -92.13 29.26 1.67 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.975 -1.078 . . . . 0.0 112.44 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.4 t -110.66 -54.33 2.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.491 -1.381 . . . . 0.0 109.667 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.19 -34.64 10.38 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.939 -1.101 . . . . 0.0 110.675 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -56.89 -58.21 9.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.805 -1.185 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -107.59 0.35 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -139.85 137.79 35.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.055 -1.262 . . . . 0.0 109.237 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 33' ' ' PHE . 49.1 mt -99.63 115.55 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.996 -1.065 . . . . 0.0 109.622 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.67 -40.5 80.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.063 -1.023 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -171.23 150.03 2.9 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.041 -1.037 . . . . 0.0 110.414 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.4 mt -125.55 114.49 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.978 . . . . 0.0 109.206 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.29 143.43 26.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.07 -1.019 . . . . 0.0 109.719 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.84 131.51 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.073 -1.017 . . . . 0.0 109.039 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.491 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 2.7 m -108.11 135.77 48.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 109.825 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -118.83 39.37 3.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 109.559 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -99.61 166.51 11.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.995 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.803 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 1.4 tt -58.44 -47.36 84.24 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.923 -1.111 . . . . 0.0 109.5 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' ' C4 ' ' B' ' 42' ' ' ' G' . 9.4 mttt -55.82 -39.74 71.79 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.077 . . . . 0.0 109.686 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -113.86 67.8 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.991 -1.068 . . . . 0.0 109.476 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.02 48.17 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.032 -1.042 . . . . 0.0 109.431 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.86 56.27 0.01 OUTLIER Glycine 0 N--CA 1.497 2.723 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.674 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.83 178.47 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.056 -1.261 . . . . 0.0 109.474 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -154.72 156.87 37.17 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 31.4 m-85 -127.41 117.6 22.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.115 -0.991 . . . . 0.0 108.881 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 33' ' ' PHE . 21.3 t -128.27 105.94 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.882 -1.137 . . . . 0.0 109.673 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.691 ' CG2' HD11 ' A' ' 92' ' ' ILE . 2.4 mt -99.76 124.62 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.988 . . . . 0.0 108.911 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.651 ' HD1' ' HB2' ' A' ' 64' ' ' ALA . 88.6 m-85 -92.32 152.48 19.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' CA ' HD13 ' A' ' 40' ' ' LEU . 32.0 tttt -50.08 -39.89 43.78 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.018 -1.051 . . . . 0.0 109.671 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.62 149.77 41.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.054 -1.029 . . . . 0.0 109.178 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 8' ' ' ASN . 7.1 p -62.61 -30.84 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.993 -1.067 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.18 86.29 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.752 -1.218 . . . . 0.0 109.564 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -58.68 -32.97 69.62 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.844 -1.16 . . . . 0.0 110.223 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB2' ' HD1' ' A' ' 58' ' ' PHE . . . -78.53 -29.73 46.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.733 -1.229 . . . . 0.0 109.701 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.476 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -62.39 -37.18 84.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.806 -1.184 . . . . 0.0 110.063 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -81.44 -37.08 28.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.9 -1.125 . . . . 0.0 109.893 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.713 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -61.55 -26.6 68.05 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.775 -1.203 . . . . 0.0 110.909 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.08 -37.19 12.28 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.566 -1.334 . . . . 0.0 110.184 -179.386 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -57.34 -38.09 73.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.887 -1.133 . . . . 0.0 109.936 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -83.07 -31.18 27.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.926 -1.109 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.5 mtp -102.22 35.83 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.693 -1.255 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.47 92.41 5.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.94 -1.1 . . . . 0.0 109.058 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.86 62.9 1.49 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.0 162.89 44.99 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 120.965 -1.315 . . . . 0.0 109.56 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.43 145.53 21.15 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.894 1.729 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 7.0 t80 -131.75 -60.05 0.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.139 -0.976 . . . . 0.0 109.408 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -119.51 69.07 0.82 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.087 -1.008 . . . . 0.0 109.33 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 60.55 42.59 13.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 109.584 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.03 147.88 1.07 Allowed Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 120.939 -1.1 . . . . 0.0 110.071 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.27 146.57 22.44 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.697 1.598 . . . . 0.0 110.257 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -152.75 139.41 18.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.976 -1.077 . . . . 0.0 110.118 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -99.2 148.67 23.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 108.988 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.955 HG22 HD11 ' A' ' 68' ' ' LEU . 51.2 mt -110.87 141.93 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 110.184 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' NE2' ' H41' ' B' ' 43' ' ' ' C' . 21.6 pt20 -138.93 135.05 34.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 108.518 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 63.5 m-85 -48.99 143.32 5.67 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.998 -1.064 . . . . 0.0 110.56 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.29 -176.38 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.067 -1.021 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -92.67 -48.95 6.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 109.527 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.2 p -108.88 179.4 4.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.081 -1.012 . . . . 0.0 109.44 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.432 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 6.4 m-20 -86.63 174.44 8.88 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.287 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.486 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 3.9 p -100.29 151.18 21.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.073 -1.017 . . . . 0.0 109.682 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.06 -1.92 54.0 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.983 . . . . 0.0 111.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 57' ' ' ILE . 1.6 pt -68.41 -28.8 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.175 -1.578 . . . . 0.0 109.794 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp -79.3 -19.78 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.174 177.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.15 78.28 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.566 -1.333 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -84.62 -14.26 49.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.844 -1.16 . . . . 0.0 112.071 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 30.7 mmt -78.64 -39.67 36.41 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.801 -1.187 . . . . 0.0 109.278 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -52.12 -35.22 47.53 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.814 -1.179 . . . . 0.0 108.603 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.72 75.38 0.02 OUTLIER Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t 39.93 74.75 0.09 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.658 -0.907 . . . . 0.0 111.171 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.76 87.84 6.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 109.138 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 O4'-C1'-N19 110.971 2.771 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.055 0 O4'-C1'-N19 111.045 2.845 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 110.889 2.689 . 0.178 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.475 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 O4'-C1'-N19 110.877 2.677 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.441 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.948 0 O4'-C1'-N19 111.057 2.857 . 0.522 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.511 ' C5 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C5'-C4'-C3' 111.546 -2.636 . 0.022 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.4 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 O4'-C1'-N19 111.42 3.22 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 O4'-C1'-N19 111.436 3.236 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 O4'-C1'-N19 110.941 2.741 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 110.889 2.689 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.434 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 111.125 2.925 . 0.03 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . 0.42 " O2'" ' N7 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C3'-C2'-C1' 104.201 3.001 . 0.361 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.434 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.086 0 C5'-C4'-C3' 111.637 -2.575 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.431 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 O4'-C1'-N19 110.934 2.734 . 0.893 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 111.097 2.897 . 0.602 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.132 2.932 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 O4'-C1'-N19 111.127 2.927 . 0.243 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 O4'-C1'-N19 111.127 2.927 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.805 0 O4'-C1'-N19 110.988 2.788 . 0.428 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 111.033 2.833 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.863 0 O4'-C1'-N19 110.906 2.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.47 ' C2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C5'-C4'-C3' 111.522 -2.652 . 0.095 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.469 ' C2 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.611 1.806 0 C5'-C4'-C3' 111.708 -2.528 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.782 0 O4'-C1'-N19 110.865 2.665 . 0.023 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.536 -2.643 . 0.196 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.025 2.825 . 0.271 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.231 0 O4'-C1'-N19 111.042 2.842 . 0.498 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.475 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.075 2.875 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.149 2.949 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 O4'-C1'-N19 110.865 2.665 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.31 80.22 65.41 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.027 -1.046 . . . . 0.0 109.46 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.01 113.76 3.48 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.871 1.714 . . . . 0.0 110.416 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -179.39 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.125 -0.985 . . . . 0.0 109.341 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 118.06 14.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.95 -1.094 . . . . 0.0 109.415 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -104.33 157.7 33.5 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.1 -1.0 . . . . 0.0 109.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.7 Cg_endo -78.31 137.16 14.82 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.942 1.762 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -113.88 41.18 2.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.094 -1.004 . . . . 0.0 109.285 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' H ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-160 56.11 25.97 9.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.073 -1.017 . . . . 0.0 110.68 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 56' ' ' VAL . 65.4 m -169.55 139.18 2.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.741 -1.225 . . . . 0.0 109.719 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.528 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.0 pt -110.82 169.25 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.934 -1.103 . . . . 0.0 109.077 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -135.52 123.67 22.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.139 -0.975 . . . . 0.0 109.709 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.656 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.9 mt -95.85 148.0 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -148.55 170.4 18.16 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.994 -1.067 . . . . 0.0 109.832 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 61.56 54.81 2.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.096 -1.002 . . . . 0.0 109.755 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' CG2' ' A' ' 13' ' ' ILE . 23.2 mt -106.96 -173.4 2.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.954 -1.092 . . . . 0.0 109.24 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.667 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -84.51 150.51 25.21 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.878 -1.139 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -103.25 40.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.11 -0.994 . . . . 0.0 109.833 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -150.97 36.16 0.61 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.038 -1.039 . . . . 0.0 110.051 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -110.77 157.31 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.965 -1.084 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' ILE . 18.1 mtpp -89.5 -180.0 5.94 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.119 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -36.02 27.38 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.957 -1.089 . . . . 0.0 110.054 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.68 -26.19 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -76.76 -46.65 24.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.789 -1.195 . . . . 0.0 109.999 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tp -71.35 -22.86 61.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.809 -1.182 . . . . 0.0 110.698 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.0 -25.04 30.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.583 -1.323 . . . . 0.0 109.951 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.05 -31.01 55.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.66 -1.275 . . . . 0.0 110.058 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -85.84 -38.54 18.0 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.679 -1.263 . . . . 0.0 110.206 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 32' ' ' ILE . 81.4 mt -69.12 -38.09 78.7 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.889 -1.132 . . . . 0.0 110.066 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -64.64 -32.58 74.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.96 -1.087 . . . . 0.0 110.42 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.97 -66.49 0.78 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.784 -1.197 . . . . 0.0 109.954 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.761 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -46.61 -58.1 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.893 -1.129 . . . . 0.0 111.986 -178.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 22.8 m-85 -65.1 -31.3 72.43 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.0 p -62.56 -31.87 72.74 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.599 -1.313 . . . . 0.0 110.466 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -50.37 -35.79 29.66 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.515 -1.366 . . . . 0.0 110.47 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 43.7 m-85 -92.92 64.43 3.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.854 -1.154 . . . . 0.0 110.027 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.72 -139.48 14.43 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -133.88 146.75 50.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.108 -1.231 . . . . 0.0 109.484 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 34' ' ' SER . 24.9 mt -99.85 133.54 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.118 -0.989 . . . . 0.0 109.445 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 59' ' ' LYS . 65.4 mt -86.26 -42.45 13.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.99 -1.069 . . . . 0.0 109.455 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.48 160.28 34.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.139 -0.975 . . . . 0.0 110.281 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.8 mt -141.01 123.53 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.185 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD22 ' N3 ' ' B' ' 44' ' ' ' A' . 4.8 mp -86.25 116.81 24.67 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.036 -1.04 . . . . 0.0 109.632 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 44' ' ' VAL . 21.3 t -113.48 22.46 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.068 -1.02 . . . . 0.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.511 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 39.2 t -47.48 143.91 3.34 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.815 -1.178 . . . . 0.0 110.497 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -119.53 39.23 3.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.058 . . . . 0.0 109.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.6 p -75.88 170.25 16.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.952 -1.093 . . . . 0.0 108.795 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 6.4 tt -53.77 -41.27 66.99 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.811 -1.181 . . . . 0.0 109.605 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -69.78 -39.04 76.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.094 -1.004 . . . . 0.0 109.144 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.42 55.96 2.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.349 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' C2 ' ' B' ' 42' ' ' ' G' . 0.3 OUTLIER -100.43 130.18 46.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.854 -1.154 . . . . 0.0 109.429 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.93 38.67 86.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -161.16 153.45 20.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.948 -1.325 . . . . 0.0 109.977 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.34 -175.08 5.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.034 -1.041 . . . . 0.0 109.95 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 34.6 m-85 -135.35 149.84 49.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.086 -1.009 . . . . 0.0 109.21 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 10' ' ' THR . 21.2 t -132.34 140.77 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.936 -1.102 . . . . 0.0 109.193 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.936 HG21 HD11 ' A' ' 92' ' ' ILE . 11.3 mt -118.83 139.49 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.96 -1.088 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 61.6 m-85 -117.21 149.62 40.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.036 -1.04 . . . . 0.0 109.47 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 40' ' ' LEU . 11.1 ttmt -55.68 -40.12 71.89 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.993 -1.067 . . . . 0.0 109.321 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -120.84 161.95 20.65 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.387 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 9' ' ' HIS . 47.1 t -74.27 -36.98 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.049 -1.032 . . . . 0.0 109.805 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.4 p -60.12 -34.9 74.14 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.906 -1.121 . . . . 0.0 110.215 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -61.31 -35.71 78.12 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.79 -1.194 . . . . 0.0 110.47 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.36 -32.15 62.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.791 -1.193 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 ' HD2' ' A' ' 69' ' ' ARG . 18.1 m -62.87 -38.33 90.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.004 -1.06 . . . . 0.0 109.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -73.05 -36.59 66.94 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.94 -1.1 . . . . 0.0 109.619 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.44 -23.23 66.26 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.879 -1.138 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' O ' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -85.55 -57.89 2.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.476 -1.39 . . . . 0.0 110.226 -179.272 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.705 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -51.54 -36.9 46.98 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.913 -1.117 . . . . 0.0 110.464 -179.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -77.53 -36.33 52.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.066 . . . . 0.0 110.053 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 mtp -101.95 34.46 2.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.934 -1.104 . . . . 0.0 110.179 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 68' ' ' LEU . 2.8 mm-40 -76.34 96.41 3.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.845 -1.159 . . . . 0.0 108.698 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.43 70.55 1.23 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -121.34 172.41 4.94 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.102 -1.234 . . . . 0.0 109.765 -179.341 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.1 Cg_endo -77.66 136.12 15.07 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.88 1.72 . . . . 0.0 110.562 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 6.0 t80 -156.55 112.4 2.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.157 -0.964 . . . . 0.0 109.188 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 11.1 m-85 60.78 41.36 14.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.834 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.26 62.94 2.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.094 -1.004 . . . . 0.0 109.762 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -178.82 142.47 0.41 Allowed Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 120.913 -1.117 . . . . 0.0 110.015 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.17 124.68 6.73 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.597 1.531 . . . . 0.0 110.077 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -131.25 135.25 47.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -104.68 148.31 26.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.476 ' O ' HD21 ' A' ' 68' ' ' LEU . 72.6 mt -110.73 142.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -147.12 137.01 23.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.125 -0.984 . . . . 0.0 109.06 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 32.5 m-85 -48.85 155.69 0.57 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.954 -1.091 . . . . 0.0 110.25 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.8 5.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.111 -0.993 . . . . 0.0 109.142 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' HG3' ' C2 ' ' B' ' 43' ' ' ' C' . 3.2 mtmp? -86.27 -48.04 8.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.964 -1.085 . . . . 0.0 109.343 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -105.93 179.61 4.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.017 -1.052 . . . . 0.0 109.5 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 8.6 m-20 -86.39 178.48 7.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.005 -1.06 . . . . 0.0 109.288 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.45 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 6.0 p -94.44 156.48 16.46 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.081 -1.012 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.71 -20.69 21.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.041 -1.037 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -59.71 -23.16 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.523 -1.36 . . . . 0.0 109.514 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.668 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -76.47 -38.39 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.567 -1.333 . . . . 0.0 107.946 178.404 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.69 -29.51 27.01 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.155 -0.966 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -87.03 -27.81 22.98 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.638 -1.289 . . . . 0.0 111.946 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.411 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.3 mmt -66.58 -29.64 69.75 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.089 -1.007 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -47.74 -34.67 8.68 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 120.751 -1.218 . . . . 0.0 108.966 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.72 -57.5 0.19 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 t 178.44 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.036 -1.273 . . . . 0.0 110.066 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 45.75 50.52 10.86 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.996 -1.065 . . . . 0.0 111.032 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.499 2.022 0 O-C-N 120.972 -1.08 . . . . 0.0 110.096 -179.839 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 110.883 2.683 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.406 ' N1 ' ' N3 ' ' B' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.802 0 O4'-C1'-N19 111.075 2.875 . 0.361 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-C3' 111.611 -2.593 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.526 ' C2 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.054 2.854 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.944 0 O4'-C1'-N19 111.303 3.103 . 0.328 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C3'-C2'-C1' 104.47 3.3 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.479 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.706 3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.405 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.211 0 O4'-C1'-N19 111.773 3.573 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 111.144 2.944 . 0.377 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C5'-C4'-C3' 111.693 -2.538 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.445 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.112 2.912 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C3'-C2'-C1' 104.235 3.039 . 0.309 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.447 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C5'-C4'-C3' 111.64 -2.573 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.538 ' C2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 110.908 2.708 . 0.899 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.538 ' N7 ' ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.176 0 O4'-C1'-N19 111.062 2.862 . 0.668 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.522 ' C6 ' ' C6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.068 0 O4'-C1'-N19 111.185 2.985 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.522 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.222 3.022 . 0.148 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 111.034 2.834 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.511 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.799 0 O4'-C1'-N19 110.891 2.691 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.543 " H1'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C1' 1.439 2.074 0 O4'-C1'-N19 111.145 2.945 . 0.266 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.846 0 O4'-C1'-N19 110.936 2.736 . 0.324 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.449 ' N2 ' ' HB2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.028 0 O4'-C1'-N19 110.853 2.653 . 0.015 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.474 ' C2 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.431 -1.84 0 C5'-C4'-C3' 111.922 -2.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 C5'-C4'-C3' 111.526 -2.649 . 0.105 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.459 " O2'" ' P ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 O4'-C1'-N19 111.553 3.353 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 111.058 2.858 . 0.029 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 O4'-C1'-N19 111.363 3.163 . 0.504 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.526 ' N2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.149 0 O4'-C1'-N19 111.026 2.826 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . 0.406 ' N3 ' ' N1 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.106 2.906 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 O4'-C1'-N19 110.954 2.754 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.7 p -142.09 63.42 15.61 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.093 -1.004 . . . . 0.0 109.418 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.56 92.86 1.1 Allowed 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 121.812 1.675 . . . . 0.0 110.253 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.67 101.03 0.22 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.076 -1.015 . . . . 0.0 109.57 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 5' ' ' THR . 16.0 m 56.91 39.21 29.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.895 -1.128 . . . . 0.0 109.974 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 63.34 117.07 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.903 0 O-C-N 121.008 -1.058 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.09 139.38 17.03 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 121.548 1.499 . . . . 0.0 110.397 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -117.68 175.95 5.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.109 -0.994 . . . . 0.0 109.491 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 4.3 t60 -86.18 -41.91 14.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.018 -1.051 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -101.15 150.49 22.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.712 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -111.88 147.29 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.0 . . . . 0.0 109.283 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 37.2 t80 -118.86 126.5 51.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.225 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.8 mt -98.88 150.79 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.068 -1.02 . . . . 0.0 108.952 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -141.92 176.22 9.11 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.923 -1.111 . . . . 0.0 109.623 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 42.75 17.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.139 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' CA ' ' A' ' 53' ' ' GLN . 67.3 mt -92.4 178.95 5.67 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.159 -0.963 . . . . 0.0 109.567 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' HB3' HD11 ' A' ' 20' ' ' ILE . 24.0 t30 -73.34 150.54 41.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.037 -1.039 . . . . 0.0 109.129 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -102.07 38.03 1.74 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 110.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -151.43 35.64 0.57 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.913 -1.117 . . . . 0.0 110.183 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 25' ' ' LEU . 9.6 mm -101.53 151.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.886 -1.134 . . . . 0.0 109.755 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -79.77 -179.58 7.0 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -88.05 -40.13 14.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.987 -1.071 . . . . 0.0 109.153 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -27.19 59.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.095 -1.003 . . . . 0.0 108.589 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.7 tp10 -74.24 -48.07 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.915 -1.115 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 20' ' ' ILE . 10.2 tp -64.48 -34.05 77.32 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.96 -1.088 . . . . 0.0 110.689 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.15 -29.1 62.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.849 -1.157 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -30.98 61.91 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.639 -1.288 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 m -77.37 -38.84 49.22 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.722 -1.236 . . . . 0.0 110.174 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.665 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.9 mt -67.6 -40.39 84.74 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.971 -1.081 . . . . 0.0 109.754 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HA ' HD11 ' A' ' 42' ' ' ILE . 1.7 t-80 -61.76 -29.48 70.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.07 -1.018 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.19 -70.13 0.56 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.678 -1.264 . . . . 0.0 110.011 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.56 -58.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.987 . . . . 0.0 111.95 -178.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 47.6 m-85 -62.29 -34.47 76.64 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.823 -1.173 . . . . 0.0 110.804 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.477 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -57.15 -33.84 67.81 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.778 -1.202 . . . . 0.0 110.371 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -46.71 -43.16 17.63 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.761 -1.212 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -99.42 74.92 1.94 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.748 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.32 160.61 32.46 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -84.4 146.8 27.48 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.034 -1.274 . . . . 0.0 109.309 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 34' ' ' SER . 36.1 mt -97.32 147.58 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.03 -1.044 . . . . 0.0 109.633 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 59' ' ' LYS . 4.9 mp -91.71 -39.82 11.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.112 -0.992 . . . . 0.0 109.642 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.67 151.57 2.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.056 -1.027 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 55' ' ' PHE . 60.7 mt -123.31 131.63 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.067 -1.021 . . . . 0.0 109.392 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.72 125.53 50.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.003 -1.061 . . . . 0.0 109.626 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 29.7 m -132.86 136.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.108 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 15.7 m -124.17 139.64 53.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.985 -1.072 . . . . 0.0 109.968 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -109.8 40.18 1.96 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 p -97.63 165.71 11.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.011 -1.056 . . . . 0.0 109.124 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.543 HD21 " H1'" ' B' ' 40' ' ' ' U' . 5.1 tt -53.79 -39.76 65.73 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.836 -1.165 . . . . 0.0 109.817 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -66.07 -40.45 90.88 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.981 -1.075 . . . . 0.0 109.484 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.4 mmt -100.87 62.1 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HB2' ' N2 ' ' B' ' 42' ' ' ' G' . 19.8 mtt-85 -107.21 56.81 0.64 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.094 . . . . 0.0 109.618 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.18 57.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.775 ' CA ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -177.83 178.77 0.94 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.04 -1.271 . . . . 0.0 110.497 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -163.68 179.21 7.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.775 -1.203 . . . . 0.0 110.598 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' ILE . 58.6 m-85 -137.22 138.29 39.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.015 -1.053 . . . . 0.0 109.216 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.46 109.93 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.978 -1.076 . . . . 0.0 109.623 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD11 ' A' ' 93' ' ' ILE . 38.7 mt -91.35 116.46 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.989 -1.069 . . . . 0.0 108.872 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 3.2 m-85 -88.22 148.14 24.51 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.443 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 40' ' ' LEU . 8.3 ttmm -49.5 -35.57 20.33 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -134.78 164.13 28.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.556 179.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.2 t -67.31 -37.66 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.078 -1.013 . . . . 0.0 110.175 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 60' ' ' GLU . 59.4 p -58.23 -34.47 70.45 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.961 -1.087 . . . . 0.0 110.488 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.5 m -64.46 -36.91 85.71 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.767 -1.208 . . . . 0.0 110.376 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -73.0 -27.36 61.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.857 -1.152 . . . . 0.0 109.605 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.486 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.6 m -68.18 -39.2 82.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.874 -1.141 . . . . 0.0 109.44 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -68.13 -41.39 81.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.097 . . . . 0.0 109.094 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -56.34 -38.43 71.34 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.068 -1.02 . . . . 0.0 109.556 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.12 -35.99 77.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.019 -1.051 . . . . 0.0 109.765 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -94.24 56.89 2.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -160.11 -56.54 0.06 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.055 -1.028 . . . . 0.0 109.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.445 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 93.3 mtp -104.72 36.52 2.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.21 105.38 0.33 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.955 -1.091 . . . . 0.0 108.836 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.06 1.47 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.74 -1.744 . . . . 0.0 108.74 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.7 m-85 -116.82 167.05 11.37 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.117 -1.225 . . . . 0.0 109.961 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.08 126.95 8.16 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.962 1.774 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -138.29 112.01 8.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 108.889 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.62 ' CD2' HD12 ' A' ' 20' ' ' ILE . 70.4 m-85 71.36 -83.94 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 122.114 -0.366 . . . . 0.0 110.394 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -154.88 47.28 0.54 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.581 -1.325 . . . . 0.0 110.245 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -179.44 156.13 0.8 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 120.977 -1.077 . . . . 0.0 110.15 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.51 141.87 22.87 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.762 1.642 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 16' ' ' LEU . 1.4 ptt? -140.68 130.89 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 0.0 110.218 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -100.96 150.01 23.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.207 -0.933 . . . . 0.0 108.696 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.85 136.82 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.069 -1.02 . . . . 0.0 110.557 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -130.19 140.71 50.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 2.6 m-85 -50.92 151.15 2.64 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.882 -1.136 . . . . 0.0 109.891 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 178.2 2.73 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HG3' ' C2 ' ' B' ' 43' ' ' ' C' . 0.7 OUTLIER -94.16 -44.33 8.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 109.156 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.9 p -119.34 179.99 4.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.117 -0.989 . . . . 0.0 109.6 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -94.67 -176.05 3.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.52 ' OG ' HD13 ' A' ' 57' ' ' ILE . 28.3 t -103.43 166.66 10.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.067 -1.021 . . . . 0.0 109.612 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.447 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 17.9 t70 -96.49 -24.24 16.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.037 -1.039 . . . . 0.0 110.956 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -57.7 -25.65 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.46 -1.4 . . . . 0.0 109.341 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm -68.37 -44.57 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.95 -50.99 44.72 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.651 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -53.08 -42.36 65.79 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.857 -1.152 . . . . 0.0 109.981 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.4 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.5 mmt -60.23 168.44 1.99 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.8 mttt 64.77 17.37 10.94 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.37 -56.84 0.58 Allowed Glycine 0 N--CA 1.478 1.466 0 O-C-N 120.607 -1.308 . . . . 0.0 110.459 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t -179.64 -45.69 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.883 -1.363 . . . . 0.0 111.45 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -150.47 46.96 0.89 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.667 -1.271 . . . . 0.0 110.005 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 N--CA 1.49 1.55 0 O-C-N 120.993 -1.067 . . . . 0.0 108.946 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 0 O4'-C1'-N19 110.986 2.786 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.094 0 O4'-C1'-N19 111.095 2.895 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.08 2.88 . 0.342 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.0 2.8 . 0.081 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.506 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.95 0 O4'-C1'-N19 111.175 2.975 . 0.288 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.506 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 C5'-C4'-C3' 111.513 -2.658 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.621 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 111.761 3.561 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.121 0 O4'-C1'-N19 111.881 3.681 . 0.19 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.125 2.925 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.523 ' C2 ' ' N2 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 110.782 2.582 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.477 ' C2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.362 3.162 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . 0.521 " O2'" ' C5 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 C3'-C2'-C1' 104.289 3.099 . 0.433 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.477 ' C4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.084 0 C5'-C4'-C3' 111.576 -2.616 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.521 ' C5 ' " O2'" ' B' ' 30' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.013 2.813 . 0.749 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.514 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.466 3.266 . 0.6 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.523 ' N2 ' ' C2 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.061 0 O4'-C1'-N19 111.202 3.002 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.994 0 O4'-C1'-N19 111.25 3.05 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.887 2.687 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.535 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 O4'-C1'-N19 110.947 2.747 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.535 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 111.232 3.032 . 0.397 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.817 0 O4'-C1'-N19 110.953 2.753 . 0.39 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.444 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C5'-C4'-C3' 111.686 -2.543 . 0.109 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.454 ' C2 ' ' HG2' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.873 0 O4'-C1'-N19 110.835 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.533 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.436 1.828 0 O4'-C1'-N19 110.92 2.72 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.529 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.038 2.838 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.53 ' C4 ' ' C4 ' ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.467 3.267 . 0.068 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . 0.53 ' C4 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.146 0 O4'-C1'-N19 111.093 2.893 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.085 0 O4'-C1'-N19 111.016 2.816 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 O4'-C1'-N19 111.013 2.813 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 110.859 2.659 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.77 86.51 13.16 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.003 -1.061 . . . . 0.0 109.484 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.8 114.88 3.72 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 121.879 1.719 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.13 173.4 0.35 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.026 -1.046 . . . . 0.0 109.374 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.93 116.81 7.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.045 . . . . 0.0 109.604 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -97.32 115.3 65.71 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.123 -0.986 . . . . 0.0 109.086 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.0 Cg_endo -77.27 110.73 3.06 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 121.366 1.377 . . . . 0.0 110.507 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.81 156.53 17.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.145 -0.972 . . . . 0.0 109.406 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -55.52 -38.3 69.06 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.04 -1.037 . . . . 0.0 109.792 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.4 m -106.78 140.94 38.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.089 . . . . 0.0 109.826 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.666 HG23 ' HB1' ' A' ' 64' ' ' ALA . 11.6 pt -107.69 146.05 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.134 -0.979 . . . . 0.0 109.307 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 42.7 t80 -104.7 124.52 49.53 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.274 -0.891 . . . . 0.0 109.43 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.6 mt -101.72 153.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.017 -1.052 . . . . 0.0 109.093 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -141.49 173.97 10.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.946 -1.097 . . . . 0.0 109.581 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 60.24 58.53 2.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.056 -1.028 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' ASN . 62.0 mt -114.12 47.72 1.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.996 -1.065 . . . . 0.0 109.652 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.607 ' HB3' HD11 ' A' ' 20' ' ' ILE . 5.8 t-20 55.87 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.188 -0.945 . . . . 0.0 110.87 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.54 39.9 3.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.075 -1.015 . . . . 0.0 109.953 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -147.65 34.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.993 -1.067 . . . . 0.0 110.107 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 25' ' ' LEU . 3.9 mt -115.28 156.72 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.905 -1.122 . . . . 0.0 110.095 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 20' ' ' ILE . 21.9 mttm -91.09 -179.16 5.37 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.191 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -79.41 -38.7 34.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.049 -1.032 . . . . 0.0 109.699 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.43 -25.67 65.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.045 -1.035 . . . . 0.0 108.878 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 20' ' ' ILE . 5.4 mm-40 -73.17 -54.81 7.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.867 -1.145 . . . . 0.0 109.776 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 20' ' ' ILE . 94.0 mt -62.7 -20.53 64.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.937 -1.102 . . . . 0.0 111.253 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -84.93 -27.85 26.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.457 -1.402 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.87 -29.67 50.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.7 -1.25 . . . . 0.0 110.265 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -88.71 -36.04 16.4 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.653 -1.279 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 25' ' ' LEU . 22.9 mt -72.09 -41.44 67.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.858 -1.151 . . . . 0.0 109.625 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CE1' ' HB ' ' A' ' 39' ' ' ILE . 20.7 t60 -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.36 -67.3 0.7 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.783 -1.198 . . . . 0.0 109.976 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -43.96 -59.66 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 112.103 -178.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HD1' ' HB1' ' A' ' 67' ' ' ALA . 29.8 m-85 -61.78 -37.52 84.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.716 -1.24 . . . . 0.0 110.277 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.0 t -51.88 -35.69 46.06 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.896 -1.127 . . . . 0.0 110.471 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -53.79 -49.8 67.51 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.751 -1.218 . . . . 0.0 109.714 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 97.6 m-85 -57.43 -58.73 6.97 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.008 -1.058 . . . . 0.0 109.513 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.35 -158.48 8.25 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -89.8 149.81 22.53 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.083 -1.245 . . . . 0.0 109.425 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 42.0 mt -114.07 117.16 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 109.608 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 59' ' ' LYS . 6.8 mp -62.28 -68.75 0.3 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.051 -1.031 . . . . 0.0 109.348 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -148.25 162.21 39.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 109.747 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 56' ' ' VAL . 39.7 mt -129.87 133.61 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.961 -1.087 . . . . 0.0 109.393 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.4 128.69 50.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 109.749 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.82 160.27 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.995 -1.065 . . . . 0.0 108.786 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.0 OUTLIER -149.74 147.46 28.07 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.899 -1.126 . . . . 0.0 109.972 -179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -117.88 37.23 4.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 0.0 109.739 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.4 p -96.95 173.81 7.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.206 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 0.8 OUTLIER -71.51 -41.21 69.52 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 109.538 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -66.2 -39.11 89.4 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.997 -1.065 . . . . 0.0 109.74 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mtp -107.05 57.92 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.944 -1.097 . . . . 0.0 109.41 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -103.02 144.79 30.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.043 -1.036 . . . . 0.0 109.646 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.87 38.46 84.23 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 3.7 pt20 -159.64 150.19 19.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.975 -1.309 . . . . 0.0 109.824 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.65 -172.66 4.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.052 -1.03 . . . . 0.0 110.377 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 20.6 m-85 -142.59 150.17 39.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.137 -0.977 . . . . 0.0 109.045 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' THR . 14.5 p -138.63 137.61 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.018 -1.051 . . . . 0.0 109.739 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.56 ' CG2' HD11 ' A' ' 93' ' ' ILE . 4.7 mp -109.37 122.41 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 68.7 m-85 -93.69 155.49 17.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 109.253 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 40' ' ' LEU . 30.1 ttmt -52.21 -39.57 60.37 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.97 -1.081 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.5 174.63 8.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.105 -0.997 . . . . 0.0 109.147 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.54 -37.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.966 -1.084 . . . . 0.0 109.776 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -60.48 -32.16 71.15 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.96 -1.087 . . . . 0.0 110.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -34.32 78.15 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.779 -1.201 . . . . 0.0 110.604 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.666 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -73.55 -35.89 65.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.697 -1.252 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.644 HG23 ' OH ' ' A' ' 85' ' ' TYR . 32.4 m -61.03 -37.49 82.78 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.091 -1.005 . . . . 0.0 109.857 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -71.48 -36.61 71.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.933 -1.104 . . . . 0.0 109.509 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.562 ' HB1' ' HD1' ' A' ' 33' ' ' PHE . . . -74.7 -12.47 60.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.806 -1.184 . . . . 0.0 111.381 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.684 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.57 -39.96 10.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.331 -1.48 . . . . 0.0 110.463 -179.285 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 65' ' ' THR . 10.6 mtp85 -75.63 -45.58 36.47 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.895 -1.128 . . . . 0.0 109.485 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.44 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 56.6 m -65.11 -36.04 83.02 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.117 -0.989 . . . . 0.0 109.694 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.2 mmm -102.87 35.66 2.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.909 -1.12 . . . . 0.0 109.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.29 101.76 4.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.901 -1.125 . . . . 0.0 108.767 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.85 70.56 1.26 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.9 m-85 -116.35 168.52 8.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.133 -1.216 . . . . 0.0 110.017 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.49 109.38 2.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.089 1.859 . . . . 0.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.73 120.76 24.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.045 -1.034 . . . . 0.0 108.244 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.714 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 26.0 m-85 59.86 40.08 19.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.73 67.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.01 -1.057 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 178.84 146.76 0.37 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 120.913 -1.117 . . . . 0.0 109.998 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.15 113.34 3.38 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.538 1.492 . . . . 0.0 109.887 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.48 126.5 46.84 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.999 -1.063 . . . . 0.0 110.295 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -95.76 145.48 25.29 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.037 -1.039 . . . . 0.0 108.801 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.5 mt -105.0 137.01 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.031 -1.043 . . . . 0.0 110.343 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.54 135.29 38.35 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.644 ' OH ' HG23 ' A' ' 65' ' ' THR . 34.6 m-85 -45.02 162.78 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.194 -0.941 . . . . 0.0 111.225 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.66 -170.69 3.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.23 -0.919 . . . . 0.0 109.214 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 18.0 mmtt -79.9 -51.36 9.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.007 -1.058 . . . . 0.0 109.002 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -132.23 -179.69 5.58 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.178 -0.951 . . . . 0.0 109.789 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.37 -175.96 0.54 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.179 -0.951 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -94.0 156.83 16.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.079 . . . . 0.0 109.394 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -29.86 51.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.04 -1.037 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 93' ' ' ILE . 33.6 pt -58.97 -24.99 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.703 -1.248 . . . . 0.0 109.163 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -72.0 -41.97 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.65 -1.282 . . . . 0.0 107.6 178.271 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.3 41.75 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.201 -0.937 . . . . 0.0 110.12 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -64.13 -42.99 96.6 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.801 -1.187 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.28 72.43 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.491 -0.755 . . . . 0.0 110.813 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -40.02 62.29 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.88 -60.61 0.04 OUTLIER Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 174.85 52.28 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.17 -1.194 . . . . 0.0 109.951 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -40.52 76.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.886 -1.134 . . . . 0.0 109.66 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 101' ' ' VAL . 11.3 p . . . . . 0 N--CA 1.501 2.087 0 O-C-N 120.932 -1.105 . . . . 0.0 110.262 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C3'-C2'-C1' 104.044 2.827 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.418 ' C5 ' ' C5 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.941 0 O4'-C1'-N19 111.047 2.847 . 0.453 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.418 ' C5 ' ' C5 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 110.82 2.62 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.539 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 110.912 2.712 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.537 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.027 0 O4'-C1'-N19 111.237 3.037 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C3'-C2'-C1' 104.022 2.803 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.476 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.273 3.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.015 0 O4'-C1'-N19 111.705 3.505 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 111.092 2.892 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.422 ' C5 ' ' C4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 110.8 2.6 . 0.179 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 110.965 2.765 . 0.267 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C3'-C2'-C1' 104.203 3.003 . 0.422 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C5'-C4'-C3' 111.558 -2.628 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.43 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 O4'-C1'-N19 110.861 2.661 . 0.823 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.132 2.932 . 0.653 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.08 0 O4'-C1'-N19 111.126 2.926 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 111.105 2.905 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 110.947 2.747 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C1'-N19 111.078 2.878 . 0.418 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 110.98 2.78 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.877 0 O4'-C1'-N19 110.854 2.654 . 0.021 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.461 ' C2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 O4'-C1'-N19 110.912 2.712 . 0.051 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.777 0 C5'-C4'-C3' 111.759 -2.494 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.796 0 O4'-C1'-N19 110.836 2.636 . 0.16 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.406 ' N3 ' ' HB2' ' A' ' 91' ' ' ASP . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 O4'-C1'-N19 111.467 3.267 . 0.373 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.49 3.29 . 0.068 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.539 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 111.05 2.85 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.293 3.093 . 0.287 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 O4'-C1'-N19 110.79 2.59 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.5 t 58.77 77.14 0.41 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.057 -1.027 . . . . 0.0 109.563 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 -179.06 5.09 Favored 'Trans proline' 0 C--N 1.323 -0.787 0 C-N-CA 121.832 1.688 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 171.48 1.03 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.019 -1.051 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.63 93.54 2.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.039 -1.038 . . . . 0.0 109.502 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 147.66 33.35 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.012 -1.055 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.15 143.83 18.06 Favored 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.798 1.665 . . . . 0.0 110.502 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.852 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -141.45 -178.59 5.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.058 -1.026 . . . . 0.0 109.118 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.595 ' ND1' HG21 ' A' ' 93' ' ' ILE . 1.4 t-160 -101.37 33.29 2.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.036 -1.04 . . . . 0.0 110.172 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.915 HG23 HD13 ' A' ' 57' ' ' ILE . 78.7 m -167.92 123.8 1.05 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.813 -1.179 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.765 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.2 pp -88.8 163.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.949 -1.095 . . . . 0.0 109.088 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 16.2 t80 -132.44 129.17 38.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.034 -1.041 . . . . 0.0 109.568 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 16' ' ' LEU . 5.1 mt -104.37 153.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -140.63 169.33 17.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.054 -1.028 . . . . 0.0 109.471 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.7 57.38 4.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 109.498 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 13' ' ' ILE . 18.1 mt -100.42 45.7 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.562 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LEU . 6.8 t30 56.7 160.92 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.089 -1.007 . . . . 0.0 110.746 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.99 36.8 3.35 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.962 -1.086 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -151.21 35.0 0.58 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.889 -1.132 . . . . 0.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.6 mm -101.6 152.47 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.851 -1.156 . . . . 0.0 109.822 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.44 -177.05 6.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -86.48 -39.34 16.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 109.298 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.51 -25.85 54.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.182 -0.949 . . . . 0.0 108.861 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -76.02 -45.09 36.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.92 -1.112 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.805 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.58 -33.26 74.65 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.896 -1.128 . . . . 0.0 110.371 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -31.48 66.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.797 -1.189 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.76 -34.2 66.84 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.67 -1.269 . . . . 0.0 110.241 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 14.6 m -75.1 -33.37 61.62 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.784 -1.198 . . . . 0.0 110.494 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 13' ' ' ILE . 77.8 mt -75.03 -30.84 61.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.779 -1.201 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.6 ' CE1' ' HB ' ' A' ' 39' ' ' ILE . 11.2 t60 -83.28 -23.5 32.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.781 -1.2 . . . . 0.0 111.093 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -33.18 21.96 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.546 -1.346 . . . . 0.0 110.506 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.635 HD12 ' HE1' ' A' ' 76' ' ' PHE . 14.7 mt -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 O-C-N 120.826 -1.171 . . . . 0.0 110.218 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 61.9 m-85 -90.39 -29.26 18.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.804 -1.185 . . . . 0.0 111.504 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.571 -1.331 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -51.8 -34.66 40.98 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.584 -1.322 . . . . 0.0 110.641 -179.257 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE1' ' ND2' ' A' ' 66' ' ' ASN . 14.3 m-85 -63.65 -52.24 61.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.812 -1.18 . . . . 0.0 109.104 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.72 -107.23 0.47 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -145.8 129.87 17.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.115 -1.227 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.6 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 67.3 mt -94.99 143.93 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.065 -1.022 . . . . 0.0 109.155 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 59' ' ' LYS . 92.5 mt -94.74 -38.4 10.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.079 -1.013 . . . . 0.0 110.303 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -166.47 142.93 4.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.891 -1.131 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.9 mt -120.46 112.84 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.982 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.23 114.44 26.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.951 -1.093 . . . . 0.0 110.033 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 6.5 t -110.59 160.62 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.133 -0.98 . . . . 0.0 108.477 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.484 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 32.9 t -154.81 165.43 36.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.801 -1.187 . . . . 0.0 110.387 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -133.99 38.77 3.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.674 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.4 p -89.66 164.66 14.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.968 -1.082 . . . . 0.0 108.73 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 5.3 tt -59.76 -53.06 62.32 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.843 -1.161 . . . . 0.0 109.118 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -59.86 -40.19 87.75 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.089 -1.007 . . . . 0.0 109.406 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 mtp -105.25 63.67 0.7 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.029 -1.045 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB3' ' C2 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -109.23 138.15 46.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.98 -1.075 . . . . 0.0 109.521 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.36 38.23 96.08 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 10.3 pt20 -153.16 158.32 41.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.837 -1.39 . . . . 0.0 109.637 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.52 173.97 14.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.0 -1.062 . . . . 0.0 110.154 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.16 121.46 26.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 60.7 t -108.4 131.27 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.875 -1.141 . . . . 0.0 108.845 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.915 HD13 HG23 ' A' ' 10' ' ' THR . 17.9 mm -105.5 140.48 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.078 -1.014 . . . . 0.0 109.31 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.55 143.93 44.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.016 -1.053 . . . . 0.0 109.35 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 40' ' ' LEU . 20.9 ttmt -52.47 -39.97 61.78 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.955 -1.091 . . . . 0.0 109.684 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -125.26 148.35 48.71 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.162 -0.961 . . . . 0.0 109.266 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.6 t -60.6 -34.34 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.092 -1.005 . . . . 0.0 110.156 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 p -60.79 -38.3 84.84 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.854 -1.154 . . . . 0.0 109.805 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.24 -34.56 72.37 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.938 -1.101 . . . . 0.0 110.504 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.765 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -72.86 -34.69 66.91 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.76 -1.212 . . . . 0.0 109.084 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.493 HG23 ' OH ' ' A' ' 85' ' ' TYR . 8.3 m -59.31 -38.85 81.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.356 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' ND2' ' CE1' ' A' ' 36' ' ' PHE . 2.1 t30 -69.93 -37.5 75.93 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 33' ' ' PHE . . . -79.63 -3.59 47.83 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.909 -1.119 . . . . 0.0 111.302 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.927 HD12 HG22 ' A' ' 83' ' ' ILE . 3.3 tp -96.58 -44.47 7.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.319 -1.488 . . . . 0.0 109.896 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -81.56 -42.47 20.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 109.461 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 58.4 m -63.94 -31.5 72.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.436 ' HB2' HD12 ' A' ' 83' ' ' ILE . 80.2 mmm -102.88 37.41 1.96 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.701 -1.249 . . . . 0.0 109.703 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -77.93 108.14 10.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.079 . . . . 0.0 109.311 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.59 58.8 6.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -102.44 170.96 5.71 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.256 . . . . 0.0 109.841 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.6 Cg_endo -80.02 137.12 12.11 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.014 1.81 . . . . 0.0 110.687 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.635 ' HE1' HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -154.2 106.92 2.84 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.072 -1.018 . . . . 0.0 109.344 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.927 ' CD2' HD12 ' A' ' 20' ' ' ILE . 90.6 m-85 58.72 44.85 16.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.179 -0.951 . . . . 0.0 109.704 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.41 68.59 0.83 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.129 -0.982 . . . . 0.0 109.817 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.2 151.5 0.44 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.959 -1.088 . . . . 0.0 110.057 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.07 134.99 13.48 Favored 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.76 1.64 . . . . 0.0 109.949 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.18 121.31 23.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 0.0 110.403 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -100.3 144.75 28.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.119 -0.988 . . . . 0.0 108.422 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.927 HG22 HD12 ' A' ' 68' ' ' LEU . 56.5 mt -113.0 134.2 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.968 -1.082 . . . . 0.0 110.629 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -131.0 141.25 50.23 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.493 ' OH ' HG23 ' A' ' 65' ' ' THR . 8.1 m-85 -52.09 168.88 0.08 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.729 -1.232 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.67 174.34 7.55 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.005 -1.06 . . . . 0.0 109.74 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -95.5 -44.36 7.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.036 -1.04 . . . . 0.0 109.517 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.0 p -99.09 178.66 4.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.045 -1.035 . . . . 0.0 109.657 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -100.75 -179.37 4.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.05 -1.031 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 157.9 18.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.074 -1.016 . . . . 0.0 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 39.0 t70 -93.38 -26.79 17.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.012 . . . . 0.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.735 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.4 pp -56.98 -27.3 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.579 -1.326 . . . . 0.0 109.46 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.735 HD13 ' CD1' ' A' ' 92' ' ' ILE . 1.1 mm -66.42 -45.45 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.74 -32.04 2.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.393 -0.817 . . . . 0.0 111.252 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' CB ' ' HE3' ' A' ' 96' ' ' MET . 9.5 mttp -79.22 -40.93 29.46 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.442 ' HE3' ' CB ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -66.1 -21.88 66.38 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.362 -0.836 . . . . 0.0 111.593 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -50.67 -37.0 38.47 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.537 -1.352 . . . . 0.0 107.907 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.88 -53.87 0.05 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 t 173.94 52.23 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.255 -1.144 . . . . 0.0 109.855 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 16.3 t80 45.82 39.42 5.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.031 -1.043 . . . . 0.0 111.023 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.499 1.977 0 O-C-N 120.974 -1.079 . . . . 0.0 110.202 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 O4'-C1'-N19 110.972 2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.845 0 O4'-C1'-N19 111.037 2.837 . 0.382 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 O4'-C1'-N19 110.87 2.67 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.537 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 110.817 2.617 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.423 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.916 0 O4'-C1'-N19 111.109 2.909 . 0.115 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.429 ' C6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 110.96 2.76 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.429 ' C8 ' ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 111.527 3.327 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.45 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.176 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.518 ' H42' ' H61' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 110.958 2.758 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.536 ' C5 ' ' C4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.112 2.912 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.536 ' C4 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.062 2.862 . 0.022 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C3'-C2'-C1' 104.212 3.013 . 0.451 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.445 ' N4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.002 0 C5'-C4'-C3' 111.69 -2.54 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.529 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C3'-C2'-C1' 104.13 2.922 . 0.763 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.529 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.179 2.979 . 0.612 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.523 ' N1 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.3 3.1 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.528 ' C2 ' ' C2 ' ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.218 3.018 . 0.059 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . 0.528 ' C2 ' ' C2 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 O4'-C1'-N19 110.881 2.681 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 111.003 2.803 . 0.425 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.432 ' O2 ' ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 O4'-C1'-N19 111.056 2.856 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.422 " O2'" ' OP2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.925 0 C3'-C2'-C1' 104.135 2.928 OUTLIER-EPSILON 0.01 7r . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.451 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.053 0 P-O3'-C3' 124.123 3.686 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.521 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.423 -2.532 1 O4'-C1'-N19 112.648 4.448 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.592 " O4'" ' HE1' ' A' ' 50' ' ' MET . . . . . . . . 0 O4'--C4' 1.429 -2.024 0 C5'-C4'-C3' 111.598 -2.601 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.539 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.816 0 O4'-C1'-N19 111.414 3.214 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.201 0 O4'-C1'-N19 111.265 3.065 . 0.618 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.537 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.071 0 O4'-C1'-N19 111.061 2.861 . 0.286 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 111.204 3.004 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 O4'-C1'-N19 111.073 2.873 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -141.77 83.75 12.67 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.049 -1.032 . . . . 0.0 109.554 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.11 134.0 12.68 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.807 1.671 . . . . 0.0 110.334 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -57.31 143.57 39.19 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 5' ' ' THR . 5.0 t -154.53 60.97 0.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.05 -1.031 . . . . 0.0 109.717 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -89.79 164.73 27.71 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.015 -1.053 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.0 Cg_endo -77.15 117.25 4.36 Favored 'Trans proline' 0 C--N 1.321 -0.868 0 C-N-CA 121.758 1.639 . . . . 0.0 110.258 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.861 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 t30 -102.11 -172.24 2.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 109.648 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.6 t60 -85.65 -37.9 18.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.098 -1.001 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' ILE . 99.1 m -106.92 156.18 18.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.071 . . . . 0.0 110.142 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.463 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -116.23 161.24 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 25.5 t80 -132.54 137.75 47.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.033 -1.042 . . . . 0.0 109.694 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.26 138.41 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.021 -1.05 . . . . 0.0 109.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -135.17 -171.03 2.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.044 -1.035 . . . . 0.0 109.266 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 59.65 47.07 11.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.903 -1.123 . . . . 0.0 109.425 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -100.86 -177.54 3.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.987 -1.071 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB2' HD11 ' A' ' 20' ' ' ILE . 10.4 m-20 -77.03 153.44 34.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.88 -1.138 . . . . 0.0 109.447 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -103.83 39.81 1.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 109.804 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -151.81 37.13 0.57 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.963 -1.086 . . . . 0.0 109.857 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -111.79 157.14 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.025 -1.047 . . . . 0.0 109.883 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 20' ' ' ILE . 57.6 mttt -91.35 179.59 5.65 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.142 -1.023 . . . . 0.0 108.936 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -37.09 26.89 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.964 -1.085 . . . . 0.0 109.702 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.75 -18.07 60.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.072 -1.018 . . . . 0.0 109.697 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -85.89 -44.44 12.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.587 -1.321 . . . . 0.0 110.271 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.705 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.7 tp -70.4 -33.15 71.05 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.855 -1.153 . . . . 0.0 110.217 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -33.8 62.55 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.843 -1.161 . . . . 0.0 109.674 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -68.11 -34.32 76.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.784 -1.197 . . . . 0.0 110.194 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -74.47 -40.04 62.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.726 -1.234 . . . . 0.0 109.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD23 ' HE2' ' A' ' 33' ' ' PHE . 9.9 mt -64.72 -30.23 71.23 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.985 -1.072 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -77.87 -24.97 48.36 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.692 -1.255 . . . . 0.0 111.132 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.09 -37.65 28.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.598 -1.314 . . . . 0.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.03 -55.53 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.901 -1.124 . . . . 0.0 110.921 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 67.1 m-85 -60.19 -31.07 69.79 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.768 -1.207 . . . . 0.0 110.894 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -70.9 -30.25 66.54 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.657 -1.277 . . . . 0.0 111.303 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -50.13 -30.0 10.29 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.593 -1.317 . . . . 0.0 111.144 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -79.1 -53.02 7.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.611 -1.306 . . . . 0.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.35 -146.77 4.41 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -106.62 135.65 47.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.039 -1.271 . . . . 0.0 109.436 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.32 128.24 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.975 -1.078 . . . . 0.0 109.225 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -73.07 -40.91 64.65 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.051 -1.03 . . . . 0.0 109.471 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.37 138.63 0.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.012 -1.055 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 56' ' ' VAL . 57.3 mt -112.01 143.49 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.063 -1.023 . . . . 0.0 109.048 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.17 141.67 51.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.961 -1.087 . . . . 0.0 110.027 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.87 128.24 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 108.985 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.429 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 0.6 OUTLIER -105.25 154.94 19.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.969 -1.082 . . . . 0.0 109.841 -179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.49 38.39 2.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.041 -1.037 . . . . 0.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -100.5 -176.51 3.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.016 -1.052 . . . . 0.0 109.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB2' ' C8 ' ' B' ' 25' ' ' ' G' . 1.3 tt -67.99 -53.25 27.38 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.929 -1.107 . . . . 0.0 109.856 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -67.11 -37.97 84.84 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.592 ' HE1' " O4'" ' B' ' 44' ' ' ' A' . 3.4 mtp -105.46 58.59 0.67 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.938 -1.101 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.0 OUTLIER -107.13 139.73 41.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 109.464 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.01 51.69 51.14 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.9 pt20 -168.3 158.1 9.67 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.046 -1.267 . . . . 0.0 110.245 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.07 150.72 25.98 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.931 -1.106 . . . . 0.0 110.179 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 49.6 m-85 -108.13 154.23 22.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.086 -1.009 . . . . 0.0 109.103 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 HG12 ' A' ' 42' ' ' ILE . 21.9 t -129.77 124.18 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.121 . . . . 0.0 109.643 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 92' ' ' ILE . 60.6 mt -97.81 117.13 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.285 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 2.3 m-85 -93.68 146.2 24.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.054 -1.029 . . . . 0.0 109.332 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -54.7 -40.43 69.17 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.4 155.56 40.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.033 -1.042 . . . . 0.0 109.223 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 8' ' ' ASN . 58.1 t -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.022 -1.049 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 p -59.97 -37.71 80.39 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.994 -1.066 . . . . 0.0 110.159 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.429 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.886 -1.134 . . . . 0.0 110.377 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.71 -30.01 56.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.764 -1.21 . . . . 0.0 109.872 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -62.7 -37.48 86.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 109.514 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -77.29 -36.39 54.27 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.934 -1.104 . . . . 0.0 109.576 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -75.08 -8.72 57.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.887 -1.133 . . . . 0.0 111.484 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.531 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.74 -47.77 4.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.349 -1.469 . . . . 0.0 110.189 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -70.49 -41.68 72.39 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.028 -1.045 . . . . 0.0 109.503 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 -37.6 87.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.082 -1.011 . . . . 0.0 109.484 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.8 mmm -103.23 35.57 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.909 -1.119 . . . . 0.0 109.868 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -70.35 113.5 7.56 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 108.667 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.48 70.12 1.11 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.585 -1.806 . . . . 0.0 108.585 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -118.94 172.31 4.43 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.087 -1.243 . . . . 0.0 109.865 -179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.7 Cg_endo -77.44 140.01 18.87 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.91 1.74 . . . . 0.0 110.474 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.6 t80 -159.36 112.83 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.25 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.705 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 13.9 m-85 60.99 41.92 13.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.0 t70 57.33 63.99 1.72 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.163 -0.961 . . . . 0.0 109.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 179.48 144.1 0.35 Allowed Pre-proline 0 N--CA 1.499 2.025 0 O-C-N 120.921 -1.112 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 126.4 7.69 Favored 'Trans proline' 0 C--N 1.323 -0.765 0 C-N-CA 121.642 1.562 . . . . 0.0 110.018 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.37 135.28 40.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.994 -1.066 . . . . 0.0 110.124 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -104.85 146.72 28.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 108.639 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.4 mt -107.48 136.74 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.006 -1.059 . . . . 0.0 110.284 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.24 133.57 41.01 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.527 ' CE1' HD13 ' A' ' 68' ' ' LEU . 49.5 m-85 -51.43 133.96 29.11 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.805 -1.184 . . . . 0.0 109.816 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -176.91 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.021 -1.049 . . . . 0.0 109.475 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.453 ' HE2' " O2'" ' B' ' 43' ' ' ' C' . 28.1 mtmt -92.3 -44.17 8.88 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.96 -1.088 . . . . 0.0 109.332 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.4 p -104.32 179.65 4.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.032 -1.042 . . . . 0.0 109.459 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.43 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.0 m-20 -93.49 177.59 5.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.07 -1.019 . . . . 0.0 109.463 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.453 ' OG ' HG12 ' A' ' 93' ' ' ILE . 1.7 p -72.64 154.53 40.7 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.097 -1.002 . . . . 0.0 109.419 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.04 -30.74 15.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.03 -1.044 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.714 HD13 HD23 ' A' ' 40' ' ' LEU . 2.0 pp -58.24 -24.59 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.669 -1.27 . . . . 0.0 109.604 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.631 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -70.76 -42.81 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 120.472 -1.393 . . . . 0.0 107.316 177.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -32.34 34.2 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.236 -0.915 . . . . 0.0 110.145 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' CD ' HG22 ' A' ' 101' ' ' VAL . 19.6 mtmm -79.11 -33.15 44.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.739 -1.226 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.418 ' HE2' ' N ' ' A' ' 96' ' ' MET . 29.8 mmt -66.17 -29.42 69.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -47.53 -35.0 8.29 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.838 -1.164 . . . . 0.0 109.007 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.91 -49.94 0.19 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.1 t -179.51 50.21 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.139 -1.212 . . . . 0.0 110.129 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -91.98 74.36 5.59 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.93 -1.106 . . . . 0.0 109.228 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.475 HG22 ' CD ' ' A' ' 95' ' ' LYS . 85.7 t . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.053 -1.029 . . . . 0.0 109.174 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 O4'-C1'-N19 110.949 2.749 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 111.071 2.871 . 0.519 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.028 2.828 . 0.106 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 110.92 2.72 . 0.234 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.444 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.039 0 O4'-C1'-N19 111.122 2.922 . 0.264 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.451 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.506 3.34 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.426 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.264 3.064 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.403 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 O4'-C1'-N19 111.605 3.405 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.403 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 O4'-C1'-N19 110.997 2.797 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 O4'-C1'-N19 110.813 2.613 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.434 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 O4'-C1'-N19 111.222 3.022 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C3'-C2'-C1' 104.174 2.971 . 0.423 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.434 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C5'-C4'-C3' 111.585 -2.61 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 110.864 2.664 . 0.881 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.001 0 O4'-C1'-N19 111.225 3.025 . 0.628 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.027 2.827 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.116 2.916 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 O4'-C1'-N19 110.9 2.7 . 0.365 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.808 0 O4'-C1'-N19 111.036 2.836 . 0.543 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 111.019 2.819 . 0.146 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.818 0 O4'-C1'-N19 110.9 2.7 . 0.344 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.445 " O2'" ' HG3' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 O4'-C1'-N19 110.839 2.639 . 0.321 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.552 ' N3 ' ' CZ ' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 112.093 -2.271 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.539 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.81 0 O4'-C1'-N19 110.926 2.726 . 0.173 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.539 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O4'-C1'-N19 110.877 2.677 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.998 0 O4'-C1'-N19 111.382 3.182 . 0.388 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 111.381 3.181 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.192 2.992 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.211 3.011 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 O4'-C1'-N19 110.927 2.727 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t 58.68 70.31 1.21 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 120.969 -1.082 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 162.17 28.58 Favored 'Trans proline' 0 C--N 1.322 -0.847 0 C-N-CA 121.898 1.732 . . . . 0.0 110.354 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.16 -179.1 2.23 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.061 -1.025 . . . . 0.0 109.431 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -126.07 103.09 7.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.01 -1.057 . . . . 0.0 109.524 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.77 151.27 37.5 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.093 -1.005 . . . . 0.0 109.196 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.22 130.83 10.4 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.813 1.675 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.588 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.1 m120 -132.73 -177.02 4.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.061 -1.025 . . . . 0.0 109.405 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -102.49 33.98 2.95 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.9 m -167.95 118.76 0.82 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.934 -1.104 . . . . 0.0 110.024 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.9 pt -83.08 169.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.923 -1.111 . . . . 0.0 109.155 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' CZ ' ' N3 ' ' B' ' 43' ' ' ' C' . 22.2 t80 -137.75 143.62 41.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.0 109.251 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -133.07 147.01 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -143.13 -175.24 4.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.021 -1.049 . . . . 0.0 109.471 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.36 50.28 4.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.934 -1.104 . . . . 0.0 109.372 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 -178.34 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.025 -1.047 . . . . 0.0 109.317 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -92.07 149.49 21.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.582 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.07 37.88 1.77 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -111.43 -55.36 2.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.919 -1.113 . . . . 0.0 109.368 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.014 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -56.1 155.64 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.132 -0.98 . . . . 0.0 108.854 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.72 -166.58 1.51 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 110.137 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -85.38 -35.92 21.05 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.959 -1.088 . . . . 0.0 110.602 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.03 -38.83 86.62 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.948 -1.095 . . . . 0.0 108.56 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 mm-40 -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.981 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.26 -36.84 43.97 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.113 -0.992 . . . . 0.0 110.499 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -68.57 -42.36 78.41 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.888 -1.132 . . . . 0.0 109.333 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -57.06 -33.25 67.05 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.023 -1.048 . . . . 0.0 110.59 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 74.8 m -75.4 -48.73 21.56 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.718 -1.239 . . . . 0.0 110.434 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 54' ' ' ALA . 52.4 mt -53.38 -33.15 52.62 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.923 -1.111 . . . . 0.0 110.752 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.785 ' CD2' HD12 ' A' ' 39' ' ' ILE . 14.3 t-80 -76.44 -41.38 47.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.776 -1.203 . . . . 0.0 109.929 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.21 68.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.115 -0.991 . . . . 0.0 110.964 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.652 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -83.63 -54.82 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 120.654 -1.278 . . . . 0.0 111.385 -178.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.903 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 18.8 m-85 -95.56 48.17 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.742 -1.224 . . . . 0.0 110.871 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -116.46 -57.37 2.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 109.566 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.52 -33.77 15.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.995 -1.065 . . . . 0.0 110.658 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 8.5 m-85 -56.32 -63.54 1.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.76 -1.212 . . . . 0.0 109.382 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.83 -120.73 1.57 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -130.16 143.35 50.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.013 -1.286 . . . . 0.0 109.487 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.785 HD12 ' CD2' ' A' ' 30' ' ' HIS . 66.2 mt -108.2 112.56 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.046 -1.034 . . . . 0.0 109.55 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 92' ' ' ILE . 1.7 mp -58.43 -41.6 85.4 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.013 -1.055 . . . . 0.0 109.184 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 165.31 1.51 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.073 -1.017 . . . . 0.0 110.635 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 29' ' ' LEU . 51.6 mt -132.25 127.46 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 108.89 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 43' ' ' LEU . 6.8 mp -103.14 141.4 35.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.989 -1.07 . . . . 0.0 110.119 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.0 m -138.99 122.49 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.971 . . . . 0.0 108.839 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.4 OUTLIER -110.89 162.3 14.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.948 -1.095 . . . . 0.0 109.968 -179.461 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.02 34.59 5.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.086 -1.008 . . . . 0.0 110.088 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 p -100.68 170.14 8.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.887 -1.133 . . . . 0.0 108.947 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 5.5 tt -53.82 -59.37 4.71 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.814 -1.179 . . . . 0.0 110.042 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HG3' " O2'" ' B' ' 42' ' ' ' G' . 6.9 ttmt -56.13 -36.76 68.59 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.953 -1.092 . . . . 0.0 109.866 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -99.78 47.25 0.95 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.796 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB2' ' N2 ' ' B' ' 42' ' ' ' G' . 7.9 mtt-85 -110.57 131.2 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.888 -1.132 . . . . 0.0 109.344 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.23 40.87 94.96 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -170.86 147.47 2.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.299 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -141.95 178.73 7.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.022 -1.049 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 14.8 m-85 -128.06 139.24 52.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.063 -1.023 . . . . 0.0 109.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 t -123.28 142.7 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.987 -1.07 . . . . 0.0 109.52 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' ILE . 29.4 mt -121.88 147.98 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.037 . . . . 0.0 109.211 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.696 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 95.5 m-85 -123.38 152.86 41.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HA ' HD13 ' A' ' 40' ' ' LEU . 9.2 mtpt -50.21 -39.43 44.27 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.001 -1.062 . . . . 0.0 109.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -125.39 175.79 7.24 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.058 -1.026 . . . . 0.0 109.48 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 8' ' ' ASN . 41.1 t -81.74 -37.42 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.1 -1.0 . . . . 0.0 109.801 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -59.06 -30.57 68.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.011 -1.055 . . . . 0.0 110.599 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -67.83 -36.23 80.01 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.653 -1.28 . . . . 0.0 110.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -73.29 -28.33 62.05 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.841 -1.162 . . . . 0.0 109.637 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' OH ' ' A' ' 85' ' ' TYR . 58.0 m -70.45 -36.98 74.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.057 . . . . 0.0 109.711 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.9 -39.18 76.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.81 -1.181 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.903 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -63.6 -36.0 82.37 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.993 -1.067 . . . . 0.0 110.033 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.658 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -67.85 -41.05 83.51 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.856 -1.152 . . . . 0.0 110.0 -179.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -70.95 -22.08 62.26 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.954 -1.091 . . . . 0.0 111.296 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 p -78.04 -38.14 45.23 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.544 -1.347 . . . . 0.0 110.014 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mmm -110.33 38.7 2.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.49 103.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.92 -1.113 . . . . 0.0 108.903 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.6 64.78 3.81 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -128.48 165.69 29.53 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.055 -1.262 . . . . 0.0 109.441 -179.655 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.0 Cg_endo -78.05 139.64 17.33 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.833 1.689 . . . . 0.0 110.319 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 32' ' ' ILE . 23.3 t80 -134.03 -60.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 109.455 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 1.014 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -112.53 66.76 0.65 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.06 42.34 19.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.022 -1.049 . . . . 0.0 109.77 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.37 156.59 0.83 Allowed Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 121.013 -1.055 . . . . 0.0 110.268 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.42 146.08 24.31 Favored 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.848 1.699 . . . . 0.0 110.128 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.14 138.79 16.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.33 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -102.36 146.32 28.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 108.863 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.658 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.0 mt -107.48 138.25 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.03 -1.044 . . . . 0.0 110.142 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.74 141.64 38.87 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' OH ' HG23 ' A' ' 65' ' ' THR . 29.1 m-85 -51.69 176.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.797 -1.189 . . . . 0.0 109.926 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.19 170.54 9.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.979 -1.076 . . . . 0.0 109.49 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -92.08 -41.24 10.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 109.447 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 p -96.46 174.46 6.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.097 -1.002 . . . . 0.0 109.41 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -99.11 147.42 25.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.081 -1.012 . . . . 0.0 109.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.473 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 1.1 m -58.47 143.31 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.035 -1.04 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.76 -36.01 43.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.08 -1.013 . . . . 0.0 109.782 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 40' ' ' LEU . 1.8 pp -57.54 -24.79 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.854 -1.154 . . . . 0.0 109.575 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -70.59 -44.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.411 -1.43 . . . . 0.0 107.253 178.005 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB1' ' O ' ' A' ' 100' ' ' PHE . . . -49.12 -42.07 38.05 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.374 -0.829 . . . . 0.0 110.12 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -57.58 -47.71 81.37 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.866 -1.147 . . . . 0.0 109.289 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.413 ' HE3' ' N ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -62.68 172.49 1.62 Allowed 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.484 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.46 16.96 10.56 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -175.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.41 -98.67 0.76 Allowed Glycine 0 N--CA 1.476 1.338 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -178.28 49.39 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.065 -1.256 . . . . 0.0 110.271 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.905 ' O ' ' HB1' ' A' ' 94' ' ' ALA . 52.8 m-85 -79.71 89.51 5.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.016 -1.052 . . . . 0.0 109.109 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 N--CA 1.486 1.352 0 O-C-N 121.023 -1.048 . . . . 0.0 109.347 -179.651 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 110.916 2.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.124 0 O4'-C1'-N19 111.062 2.862 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-C3' 111.666 -2.556 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.436 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 O4'-C1'-N19 110.933 2.733 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.436 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.006 0 O4'-C1'-N19 111.258 3.058 . 0.024 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.448 " C5'" ' OP2' ' B' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.111 0 C3'-C2'-C1' 104.845 3.717 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.51 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C3'-C2'-C1' 104.667 3.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.51 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.076 2.876 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 O4'-C1'-N19 111.363 3.163 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 O4'-C1'-N19 110.963 2.763 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.465 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C3'-C2'-C1' 104.234 3.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . 0.452 ' OP2' ' N4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C3'-C2'-C1' 104.259 3.066 . 0.021 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.547 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 C5'-C4'-C3' 111.436 -2.709 . 0.322 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.553 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C3'-C2'-C1' 104.312 3.124 . 0.312 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.553 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.322 0 O4'-C1'-N19 111.191 2.991 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.515 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 O4'-C1'-N19 111.268 3.068 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.515 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C3'-C2'-C1' 104.088 2.875 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.035 2.835 . 0.355 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.876 0 O4'-C1'-N19 111.054 2.854 . 0.419 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.415 " O2'" ' CD2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.346 3.146 . 0.378 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.992 0 C5'-C4'-C3' 111.471 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 O4'-C1'-N19 110.873 2.673 . 0.505 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.462 ' C2 ' ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.431 -1.842 0 O4'-C1'-N19 110.836 2.636 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.541 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.611 1.784 0 O4'-C1'-N19 110.91 2.71 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.54 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 O4'-C1'-N19 110.93 2.73 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.023 0 O4'-C1'-N19 111.335 3.135 . 0.444 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.482 3.282 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 111.141 2.941 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C5'-C4'-C3' 111.681 -2.546 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.042 0 O4'-C1'-N19 111.097 2.897 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 2' ' ' VAL . 17.4 m -136.92 75.49 48.45 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 109.509 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.04 177.95 8.17 Favored 'Trans proline' 0 C--N 1.323 -0.783 0 C-N-CA 121.879 1.719 . . . . 0.0 110.411 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.59 -37.91 22.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.088 -1.007 . . . . 0.0 109.88 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -90.66 91.52 8.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.026 -1.046 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -56.34 154.16 17.18 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.079 -1.013 . . . . 0.0 109.455 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.05 127.51 8.53 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 121.856 1.704 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 61' ' ' VAL . 24.6 m120 -100.64 -177.7 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.02 -1.05 . . . . 0.0 109.396 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -99.96 25.94 6.86 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.01 -1.056 . . . . 0.0 110.74 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 56' ' ' VAL . 97.3 m -169.7 117.43 0.59 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.671 -1.268 . . . . 0.0 110.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 33' ' ' PHE . 19.5 pt -72.02 172.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.913 -1.117 . . . . 0.0 108.348 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 69.2 t80 -147.54 143.55 27.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.964 -1.085 . . . . 0.0 109.656 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.43 132.17 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 14.1 p-10 -129.18 -178.48 4.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 58.97 50.91 7.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.993 -1.067 . . . . 0.0 109.118 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 53' ' ' GLN . 1.5 mp -88.81 -177.23 5.46 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.023 -1.048 . . . . 0.0 109.492 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.79 149.01 24.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.084 -1.01 . . . . 0.0 109.25 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.06 56.07 2.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.008 . . . . 0.0 109.549 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -153.52 38.79 0.49 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.976 -1.077 . . . . 0.0 109.652 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.849 HD12 ' CD2' ' A' ' 77' ' ' TYR . 2.8 mm -105.47 154.66 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.078 -1.014 . . . . 0.0 108.655 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 ttmm -97.02 21.84 9.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.057 -1.027 . . . . 0.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 24.6 mtpt 75.57 -75.11 0.07 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.022 0.828 . . . . 0.0 112.258 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.3 -34.46 72.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.411 -1.431 . . . . 0.0 108.288 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.92 -41.45 97.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.967 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.76 HD23 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -55.4 -39.65 70.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.0 -1.062 . . . . 0.0 110.112 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -68.36 -35.25 77.45 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.922 -1.111 . . . . 0.0 110.228 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -26.54 66.03 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.819 -1.176 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' A' ' 76' ' ' PHE . 8.6 t -81.24 -41.98 21.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.689 -1.257 . . . . 0.0 110.426 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 54' ' ' ALA . 29.9 mt -63.4 -49.31 74.31 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.574 ' HA ' HD12 ' A' ' 39' ' ' ILE . 7.0 t60 -67.13 -15.76 63.91 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.176 -0.953 . . . . 0.0 111.545 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.51 19.45 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.232 -1.543 . . . . 0.0 111.012 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -89.32 -54.83 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 120.72 -1.238 . . . . 0.0 111.473 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 28.2 m-85 -66.32 -36.99 84.32 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.83 -1.169 . . . . 0.0 110.983 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -52.78 -34.23 52.32 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.692 -1.255 . . . . 0.0 110.4 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -50.79 -50.33 56.32 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.625 -1.297 . . . . 0.0 110.058 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -60.12 -56.98 14.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.046 -1.034 . . . . 0.0 109.467 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -148.11 -170.54 16.19 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.09 132.45 33.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.015 -1.285 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 30' ' ' HIS . 50.8 mt -90.73 129.66 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.063 -1.023 . . . . 0.0 109.11 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -65.6 -58.82 4.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.127 -0.983 . . . . 0.0 109.472 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.01 144.07 17.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.057 -1.027 . . . . 0.0 110.23 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -115.55 125.4 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -107.98 136.31 47.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.911 -1.118 . . . . 0.0 110.233 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 m -130.49 121.91 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.786 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.444 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.9 t -112.67 156.14 23.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.12 . . . . 0.0 109.921 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -127.64 38.32 4.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.111 -0.993 . . . . 0.0 109.743 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.8 p -85.55 -174.14 5.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 109.176 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 1.4 tt -62.25 -41.33 98.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.929 -1.107 . . . . 0.0 109.514 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -74.57 -39.86 62.01 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.095 -1.003 . . . . 0.0 109.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.19 59.03 2.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.021 -1.049 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 46.95 0.93 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.952 -1.092 . . . . 0.0 109.41 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.27 60.65 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' HA ' HD13 ' A' ' 16' ' ' LEU . 10.5 pt20 -175.92 153.06 1.3 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.098 -1.236 . . . . 0.0 110.105 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -146.33 152.95 39.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.937 -1.102 . . . . 0.0 110.037 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 41.1 m-85 -110.39 137.43 48.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.029 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' CE1' ' A' ' 58' ' ' PHE . 23.4 t -120.62 127.16 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.996 -1.065 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 92' ' ' ILE . 9.7 mt -104.58 149.99 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.991 -1.068 . . . . 0.0 109.109 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m-85 -131.53 140.25 49.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 0.0 109.601 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HD3' HD11 ' A' ' 40' ' ' LEU . 14.4 ttpt -54.49 114.47 1.68 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.129 -0.982 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 59' ' ' LYS . 6.7 tt0 70.25 145.07 0.06 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.193 -0.942 . . . . 0.0 109.722 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ASN . 35.6 t -74.81 93.31 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.138 -0.976 . . . . 0.0 109.205 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -54.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.139 -0.976 . . . . 0.0 109.395 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.415 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 5.7 m -62.55 -40.07 95.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.165 -0.959 . . . . 0.0 108.417 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -66.47 -32.29 73.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 108.199 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.483 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 21.8 m -57.88 -43.2 85.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.531 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.12 -44.53 91.97 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.044 -1.035 . . . . 0.0 108.556 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -51.83 -32.95 33.84 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.104 -0.998 . . . . 0.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.572 HD22 HG22 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.57 -44.08 65.17 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 108.995 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 56.07 1.9 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 109.248 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 -56.56 0.06 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.101 -0.999 . . . . 0.0 110.057 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 74' ' ' PHE . 88.3 mtp -105.2 37.18 2.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.056 -1.028 . . . . 0.0 109.688 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.17 102.92 0.14 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.875 -1.141 . . . . 0.0 109.095 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.46 66.01 2.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CB ' ' HE2' ' A' ' 71' ' ' MET . 0.8 OUTLIER -110.22 171.1 4.66 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.25 . . . . 0.0 109.641 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.3 Cg_endo -78.25 143.82 20.21 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.926 1.751 . . . . 0.0 110.625 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.479 ' CZ ' ' OG ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -157.55 109.3 2.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.849 ' CD2' HD12 ' A' ' 20' ' ' ILE . 94.9 m-85 58.01 42.05 23.27 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.38 68.98 0.72 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.019 -1.05 . . . . 0.0 109.748 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.9 144.34 0.29 Allowed Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 120.947 -1.095 . . . . 0.0 109.952 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 131.85 10.46 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.576 1.517 . . . . 0.0 110.106 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -137.61 119.74 15.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.983 -1.073 . . . . 0.0 110.047 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.65 148.72 24.68 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.114 -0.991 . . . . 0.0 108.878 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.572 HG22 HD22 ' A' ' 68' ' ' LEU . 62.3 mt -105.4 135.49 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.177 -0.952 . . . . 0.0 110.345 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.75 136.32 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 29.7 m-85 -49.79 174.45 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.876 -1.14 . . . . 0.0 110.418 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.95 -176.77 5.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' CG ' ' C2 ' ' B' ' 43' ' ' ' C' . 0.0 OUTLIER -92.14 -43.63 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.9 p -115.69 179.72 3.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.994 -1.066 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 62.7 m-20 -81.13 179.04 8.04 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.085 -1.01 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.435 ' HA ' ' N3 ' ' B' ' 45' ' ' ' C' . 1.2 t -94.88 151.96 18.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.041 -1.037 . . . . 0.0 109.816 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.49 -22.74 23.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.049 -1.032 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.901 HD11 HG21 ' A' ' 57' ' ' ILE . 2.7 pt -57.7 -24.23 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.579 -1.326 . . . . 0.0 109.576 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.718 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -75.58 -40.59 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.508 -1.37 . . . . 0.0 107.698 178.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.62 -37.08 57.71 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.012 -1.055 . . . . 0.0 109.613 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -70.91 -36.47 72.72 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.807 -1.183 . . . . 0.0 110.68 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.406 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.8 mmt -64.91 -25.05 67.72 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.396 -0.815 . . . . 0.0 110.598 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -46.88 -34.99 5.9 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.721 -1.237 . . . . 0.0 109.269 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.42 -45.34 0.21 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.6 t -179.08 54.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.976 -1.308 . . . . 0.0 110.264 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -58.42 -41.68 85.53 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.934 -1.104 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 101' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.5 2.027 0 O-C-N 120.862 -1.149 . . . . 0.0 110.158 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.857 0 O4'-C1'-N19 110.994 2.794 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.099 2.899 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 110.9 2.7 . 0.193 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.541 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.965 0 O4'-C1'-N19 110.863 2.663 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.446 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.942 0 O4'-C1'-N19 111.102 2.902 . 0.328 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.452 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-C3' 111.516 -2.656 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.442 ' C8 ' ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.569 3.369 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.469 ' N3 ' ' C2 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 O4'-C1'-N19 111.107 2.907 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 111.116 2.916 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.444 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C3'-C2'-C1' 104.662 3.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C3'-C2'-C1' 104.228 3.031 . 0.106 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.543 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.419 -2.721 . 0.384 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.547 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C3'-C2'-C1' 103.924 2.693 . 0.536 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.547 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.108 0 O4'-C1'-N19 111.099 2.899 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 O4'-C1'-N19 111.153 2.953 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.469 ' C2 ' ' N3 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.152 2.952 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 O4'-C1'-N19 110.958 2.758 . 0.332 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.838 0 O4'-C1'-N19 110.953 2.753 . 0.437 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.006 0 O4'-C1'-N19 111.321 3.121 . 0.279 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.825 0 O4'-C1'-N19 110.847 2.647 . 0.026 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.462 ' N2 ' ' CB ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 O4'-C1'-N19 110.841 2.641 . 0.086 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.847 0 O4'-C1'-N19 110.866 2.666 . 0.057 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.541 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.738 0 O4'-C1'-N19 110.935 2.735 . 0.055 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.541 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.243 3.043 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.359 3.159 . 0.401 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.094 2.894 . 0.039 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.541 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 O4'-C1'-N19 110.974 2.774 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 111.364 3.164 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 O4'-C1'-N19 111.004 2.804 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.9 t -116.82 139.38 25.59 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.06 126.64 7.19 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 121.649 1.566 . . . . 0.0 110.361 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -86.08 -173.35 4.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.064 -1.022 . . . . 0.0 109.537 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -95.5 107.51 19.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -94.48 155.9 39.15 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.002 -1.061 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.2 Cg_endo -77.95 109.45 2.72 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 121.847 1.698 . . . . 0.0 110.444 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 109.374 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.703 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -56.81 -37.85 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.149 -0.969 . . . . 0.0 109.948 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 56' ' ' VAL . 94.0 m -106.82 153.01 23.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.099 . . . . 0.0 110.215 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.834 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.4 pt -113.12 158.56 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 0.0 108.814 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.57 ' O ' HG23 ' A' ' 83' ' ' ILE . 64.7 t80 -125.51 150.02 47.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.064 -1.023 . . . . 0.0 109.773 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.561 HG22 HD21 ' A' ' 16' ' ' LEU . 2.9 mt -132.25 141.42 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 108.979 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.5 p-10 -142.71 -176.49 4.89 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.008 -1.057 . . . . 0.0 109.548 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 61.57 43.64 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.938 -1.101 . . . . 0.0 109.289 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 13' ' ' ILE . 28.2 mt -100.33 -171.52 2.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.026 -1.046 . . . . 0.0 109.266 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.52 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -83.08 152.27 25.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.006 -1.059 . . . . 0.0 109.122 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.23 35.45 2.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.339 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -150.93 35.83 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.882 -1.136 . . . . 0.0 110.108 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.846 HD12 ' CD2' ' A' ' 77' ' ' TYR . 17.9 mm -93.77 154.5 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.861 -1.149 . . . . 0.0 110.071 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -84.13 -178.43 6.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -87.31 -40.7 14.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.996 -1.065 . . . . 0.0 109.092 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -25.77 57.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 108.764 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 41.7 mt-10 -75.96 -45.36 35.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.868 -1.145 . . . . 0.0 110.011 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.729 ' CD1' HG21 ' A' ' 20' ' ' ILE . 6.5 tp -68.3 -31.28 70.6 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.853 -1.154 . . . . 0.0 110.736 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -77.49 -27.1 51.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.7 -1.25 . . . . 0.0 110.359 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -77.32 -28.72 53.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.615 -1.303 . . . . 0.0 110.102 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.6 m -81.05 -39.91 25.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.697 -1.252 . . . . 0.0 110.174 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -55.66 7.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.925 -1.11 . . . . 0.0 109.6 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CA ' HD11 ' A' ' 42' ' ' ILE . 10.2 t-80 -53.31 -27.76 24.73 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.231 -0.918 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.88 -69.63 0.53 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.651 -1.281 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.83 -59.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.002 -1.061 . . . . 0.0 112.005 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 32' ' ' ILE . 81.4 m-85 -60.05 -37.93 81.29 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.86 -1.15 . . . . 0.0 110.711 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.7 t -54.41 -36.24 63.76 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.773 -1.204 . . . . 0.0 110.516 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.04 50.52 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.788 -1.195 . . . . 0.0 110.194 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -63.65 -55.8 20.74 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.36 -161.84 10.34 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -88.19 149.33 23.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.042 -1.269 . . . . 0.0 109.208 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD11 ' N ' ' A' ' 34' ' ' SER . 49.3 mt -111.89 116.38 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.92 -40.35 80.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.065 -1.022 . . . . 0.0 109.797 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.22 162.12 0.8 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.008 -1.057 . . . . 0.0 110.488 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' PHE . 27.0 mt -127.41 145.67 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.101 -0.999 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.66 126.35 51.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.99 -1.069 . . . . 0.0 109.729 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 t -118.35 160.59 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.183 -0.948 . . . . 0.0 108.628 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.452 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.0 OUTLIER -145.86 157.28 43.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.962 -1.086 . . . . 0.0 109.823 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -128.38 37.06 4.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.025 -1.047 . . . . 0.0 109.684 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.5 p -103.53 173.89 6.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.962 -1.086 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' HB2' ' C8 ' ' B' ' 25' ' ' ' G' . 2.2 tt -64.02 -58.57 6.32 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 109.763 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -55.78 -42.68 75.88 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.046 -1.034 . . . . 0.0 109.794 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mmm -101.47 62.07 0.93 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.995 -1.066 . . . . 0.0 109.357 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -116.28 128.01 55.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.944 -1.098 . . . . 0.0 109.525 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.89 40.06 31.72 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 16' ' ' LEU . 9.2 pt20 -155.16 151.63 28.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.267 . . . . 0.0 109.885 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.74 153.03 38.74 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.004 -1.06 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 42' ' ' ILE . 34.1 m-85 -113.93 135.55 53.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.002 -1.061 . . . . 0.0 109.388 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 10' ' ' THR . 41.4 t -115.99 132.02 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.892 -1.13 . . . . 0.0 109.31 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.877 HG21 HD11 ' A' ' 92' ' ' ILE . 21.4 mt -104.63 121.54 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-85 -100.13 147.8 25.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.085 -1.009 . . . . 0.0 109.097 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -54.09 -39.31 66.22 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.96 -1.088 . . . . 0.0 109.605 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.66 159.53 34.41 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.08 -1.012 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 9' ' ' HIS . 42.5 t -67.35 -34.8 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.129 -0.982 . . . . 0.0 109.993 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -60.97 -37.92 84.12 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.98 -1.075 . . . . 0.0 109.91 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -34.53 72.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.802 -1.186 . . . . 0.0 110.342 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.834 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.83 -29.64 56.0 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.787 -1.196 . . . . 0.0 109.752 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 7.4 m -63.84 -40.79 97.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.842 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.2 -40.86 64.42 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.383 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -25.8 65.48 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.009 -1.057 . . . . 0.0 110.754 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -86.6 -37.89 17.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.543 -1.348 . . . . 0.0 110.456 -179.135 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -40.22 84.56 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.827 -1.171 . . . . 0.0 109.428 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -85.56 -26.75 25.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.057 -1.027 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.6 mmm -101.28 33.71 2.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.556 -1.34 . . . . 0.0 110.318 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -78.19 98.12 5.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.831 -1.168 . . . . 0.0 108.469 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.5 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -114.48 164.62 15.86 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.269 . . . . 0.0 109.864 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.7 Cg_endo -79.89 114.54 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.999 1.799 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -129.91 114.76 16.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.132 -0.98 . . . . 0.0 108.438 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.846 ' CD2' HD12 ' A' ' 20' ' ' ILE . 88.5 m-85 60.05 42.5 15.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.207 -0.933 . . . . 0.0 109.895 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.84 68.97 0.76 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.103 -0.998 . . . . 0.0 110.756 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 tttp 179.34 141.0 0.29 Allowed Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 120.899 -1.126 . . . . 0.0 110.187 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 114.97 3.66 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.409 1.406 . . . . 0.0 109.706 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.13 127.4 45.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 0.0 110.485 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.7 146.6 24.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.11 -0.994 . . . . 0.0 108.572 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 12' ' ' TYR . 63.5 mt -105.11 134.86 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.955 -1.091 . . . . 0.0 110.396 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.2 135.31 49.53 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 42.3 m-85 -50.44 137.61 18.68 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 120.852 -1.155 . . . . 0.0 110.134 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 176.0 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.072 -1.018 . . . . 0.0 109.69 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -92.88 -41.65 9.94 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 0.0 109.793 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.9 p -113.04 179.58 3.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.647 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 21.0 m-20 -83.04 -177.6 6.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.078 -1.014 . . . . 0.0 109.203 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -99.96 140.57 34.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.04 -31.34 70.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.182 -0.949 . . . . 0.0 110.455 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 57' ' ' ILE . 1.2 pp -63.26 -25.9 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.696 -1.252 . . . . 0.0 109.257 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.6 mp -70.31 -38.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.57 3.4 52.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.991 -1.068 . . . . 0.0 110.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.77 4.25 4.55 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.35 -1.469 . . . . 0.0 113.995 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.495 ' HG2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -83.83 -40.55 18.55 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.529 -1.357 . . . . 0.0 108.75 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.495 ' N ' ' HG2' ' A' ' 96' ' ' MET . 18.7 mttm -72.3 -20.1 61.56 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 175.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.423 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . 128.77 -47.06 1.04 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 106.594 -2.603 . . . . 0.0 106.594 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 99' ' ' THR . 1.5 t 165.91 91.6 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.771 -0.841 . . . . 0.0 109.719 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.1 t80 45.45 64.4 1.44 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.153 -0.967 . . . . 0.0 111.085 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.022 -1.049 . . . . 0.0 109.11 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 O4'-C1'-N19 110.902 2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.527 ' C6 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 O4'-C1'-N19 110.978 2.778 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.527 ' C4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 O4'-C1'-N19 110.899 2.699 . 0.135 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.517 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 O4'-C1'-N19 110.876 2.676 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.455 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.905 0 O4'-C1'-N19 111.187 2.987 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.459 ' H62' ' HG2' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 O4'-C1'-N19 111.03 2.83 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.438 " C1'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.481 3.281 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.128 0 O4'-C1'-N19 111.676 3.476 . 0.054 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 110.976 2.776 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 110.851 2.651 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.403 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 111.139 2.939 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C3'-C2'-C1' 104.241 3.046 . 0.254 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.403 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.997 0 C5'-C4'-C3' 111.676 -2.549 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 110.889 2.689 . 0.89 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.12 0 O4'-C1'-N19 111.157 2.957 . 0.622 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.187 2.987 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.923 0 O4'-C1'-N19 111.175 2.975 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 O4'-C1'-N19 110.933 2.733 . 0.368 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.768 0 O4'-C1'-N19 111.052 2.852 . 0.326 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.065 2.865 . 0.039 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.44 " O4'" ' C6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-N19 110.99 2.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.554 ' N7 ' ' ND2' ' A' ' 14' ' ' ASN . . . . . . . . 0 O4'--C1' 1.438 2.031 0 O4'-C1'-N19 110.746 2.546 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.466 ' C2 ' ' HG2' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.917 0 O4'-C1'-N19 110.857 2.657 . 0.022 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.885 0 O4'-C1'-N19 110.988 2.788 . 0.167 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C5'-C4'-C3' 111.56 -2.627 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 110.957 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.369 3.169 . 0.018 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.517 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.027 2.827 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.198 2.998 . 0.264 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.943 2.743 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 11.0 t -73.47 -46.38 7.54 Favored Pre-proline 0 N--CA 1.499 1.984 0 O-C-N 120.998 -1.064 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.2 Cg_endo -79.15 90.31 1.28 Allowed 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.093 1.195 . . . . 0.0 110.388 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -82.57 -38.84 23.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.959 -1.088 . . . . 0.0 109.772 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 59.27 2.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 109.545 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -61.7 -52.74 66.91 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.991 -1.068 . . . . 0.0 108.489 179.262 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 6' ' ' ARG . 39.6 Cg_endo -85.22 164.71 11.23 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 121.672 1.581 . . . . 0.0 110.76 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.1 t30 -171.5 162.0 6.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.33 -0.856 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.556 ' CG ' HG22 ' A' ' 61' ' ' VAL . 2.1 t-160 -100.82 33.37 2.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.891 -1.131 . . . . 0.0 110.377 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 56' ' ' VAL . 51.1 m -168.66 141.26 2.83 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.812 -1.18 . . . . 0.0 110.125 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 33' ' ' PHE . 45.4 pt -106.36 169.56 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.863 -1.148 . . . . 0.0 108.848 179.015 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 13.8 t80 -157.09 125.66 5.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 109.904 -178.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG21 ' SD ' ' A' ' 81' ' ' MET . 5.3 mt -106.04 143.32 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.184 -0.948 . . . . 0.0 108.669 179.284 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.554 ' ND2' ' N7 ' ' B' ' 42' ' ' ' G' . 23.9 t-20 -129.87 48.93 2.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.973 -1.08 . . . . 0.0 109.843 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -147.05 46.26 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.064 -1.022 . . . . 0.0 109.169 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.4 mm? -93.38 179.2 5.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.0 109.541 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -102.24 165.06 11.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.076 -1.015 . . . . 0.0 109.209 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -97.12 48.26 1.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.367 -0.833 . . . . 0.0 109.844 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.27 37.86 0.49 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.906 -1.121 . . . . 0.0 109.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 25' ' ' LEU . 11.4 mm -92.54 158.83 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.022 -1.049 . . . . 0.0 109.477 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -99.97 27.85 5.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt 65.97 -83.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.368 -0.832 . . . . 0.0 112.277 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.99 -27.95 55.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.225 -1.547 . . . . 0.0 108.853 179.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.36 -44.99 85.89 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.036 -1.04 . . . . 0.0 109.528 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.771 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.9 tp -67.51 -16.26 64.11 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.944 -1.098 . . . . 0.0 111.39 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -84.48 -34.11 23.46 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.456 -1.402 . . . . 0.0 109.711 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -71.59 -36.49 70.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.782 -1.199 . . . . 0.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.9 m -76.97 -40.62 46.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.823 -1.173 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 32' ' ' ILE . 16.7 mt -62.68 -30.33 71.31 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.979 -1.076 . . . . 0.0 110.818 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.766 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.1 t-80 -72.63 -41.28 65.69 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 110.044 -179.415 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.75 70.73 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.104 -0.997 . . . . 0.0 110.171 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -56.97 -51.08 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.926 -1.109 . . . . 0.0 110.568 -178.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.701 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 29.3 m-85 -96.66 36.88 1.33 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.007 -1.058 . . . . 0.0 111.716 -178.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -111.0 -49.47 3.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.692 -1.255 . . . . 0.0 109.989 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ptm85 -48.21 -28.94 3.31 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.75 -1.218 . . . . 0.0 111.507 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.43 53.68 2.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.586 -1.322 . . . . 0.0 110.85 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.26 -155.82 16.03 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.612 -1.305 . . . . 0.0 110.353 178.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -113.37 150.22 32.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.175 -1.191 . . . . 0.0 109.472 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 30' ' ' HIS . 59.7 mt -102.79 115.37 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.109 -0.995 . . . . 0.0 109.492 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 59' ' ' LYS . 94.9 mt -57.58 -43.66 84.74 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.992 -1.067 . . . . 0.0 109.464 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.01 166.75 1.6 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.024 -1.047 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.47 123.99 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 0.0 109.188 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mp -99.94 134.71 42.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.043 -1.036 . . . . 0.0 109.77 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.4 t -136.1 160.33 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.15 -0.969 . . . . 0.0 108.725 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.7 OUTLIER -157.37 168.6 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.018 -1.051 . . . . 0.0 110.262 -179.74 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HG2' ' H62' ' B' ' 24' ' ' ' A' . 6.5 ptt180 -129.89 39.29 3.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.977 -1.077 . . . . 0.0 109.712 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 p -90.27 -179.86 5.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.953 -1.092 . . . . 0.0 109.393 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' HB2' " C1'" ' B' ' 25' ' ' ' G' . 2.7 tt -67.82 -50.8 54.76 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.998 -1.063 . . . . 0.0 109.485 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.57 -40.0 74.44 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.074 -1.016 . . . . 0.0 109.77 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 mtm -107.27 63.72 0.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.56 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HB3' ' N2 ' ' B' ' 42' ' ' ' G' . 0.5 OUTLIER -104.23 40.44 1.46 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.871 -1.143 . . . . 0.0 109.437 179.686 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.93 55.65 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 2.8 pt20 -170.25 152.97 4.29 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.054 -1.262 . . . . 0.0 109.621 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -137.08 153.71 50.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.89 -1.131 . . . . 0.0 110.062 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 12' ' ' TYR . 73.6 m-85 -115.63 135.44 54.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.007 -1.058 . . . . 0.0 109.116 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 10' ' ' THR . 60.3 t -126.99 148.54 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.965 -1.084 . . . . 0.0 109.405 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.026 HG21 HD11 ' A' ' 92' ' ' ILE . 36.9 mt -130.04 148.16 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 0.0 109.176 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 27.7 m-85 -120.73 155.9 32.94 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.979 -1.076 . . . . 0.0 109.729 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HA ' HD11 ' A' ' 40' ' ' LEU . 7.8 tttp -54.28 -39.9 67.33 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.005 -1.059 . . . . 0.0 109.439 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -124.13 176.74 6.2 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.137 -0.977 . . . . 0.0 109.23 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.4 t -81.33 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.6 p -56.7 -30.89 63.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.95 -1.094 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -67.58 -39.28 84.87 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.712 -1.243 . . . . 0.0 110.22 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -72.74 -24.12 60.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.912 -1.117 . . . . 0.0 109.595 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -70.03 -40.96 74.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.885 -1.134 . . . . 0.0 109.042 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.09 -42.5 94.01 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.054 -1.029 . . . . 0.0 108.668 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.48 -37.94 68.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.972 -1.08 . . . . 0.0 109.433 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -65.08 -40.32 94.46 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.617 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -94.27 55.88 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.892 -1.13 . . . . 0.0 109.472 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -149.3 -60.07 0.22 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.043 -1.036 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.5 mmm -109.88 38.37 2.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.081 -1.012 . . . . 0.0 109.337 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -67.43 109.07 3.04 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.905 -1.122 . . . . 0.0 109.154 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.14 59.9 4.06 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -131.31 157.7 77.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.093 -1.24 . . . . 0.0 109.647 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.89 131.44 10.09 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.965 1.777 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 8.2 t80 -127.62 -59.86 1.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -0.99 . . . . 0.0 109.229 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.688 ' CE2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -112.96 63.71 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.075 -1.016 . . . . 0.0 109.318 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.21 41.33 10.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.985 -1.072 . . . . 0.0 109.739 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -178.66 152.45 0.76 Allowed Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.104 -0.997 . . . . 0.0 110.063 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.4 149.73 27.84 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.731 1.621 . . . . 0.0 110.192 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.474 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.82 147.73 31.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.992 -1.067 . . . . 0.0 110.183 -179.551 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -107.03 156.44 18.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.938 . . . . 0.0 109.534 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 68' ' ' LEU . 16.8 mm -109.36 129.52 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.06 -1.025 . . . . 0.0 110.049 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.55 133.11 22.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.975 -1.078 . . . . 0.0 108.807 179.181 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 19.4 m-85 -53.96 171.14 0.11 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.684 -1.26 . . . . 0.0 109.114 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' CB ' ' N6 ' ' B' ' 44' ' ' ' A' . . . -81.6 -171.09 3.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.008 -1.058 . . . . 0.0 108.958 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 0.0 OUTLIER -80.68 -43.29 20.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.962 -1.086 . . . . 0.0 109.38 -179.874 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -123.65 179.24 4.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.987 -1.071 . . . . 0.0 109.724 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -66.54 -174.14 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.086 -1.008 . . . . 0.0 108.888 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.603 ' OG ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -97.47 144.15 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.944 -1.097 . . . . 0.0 109.065 179.638 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.92 -39.38 87.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.009 -1.057 . . . . 0.0 110.163 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 1.026 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -58.75 -26.95 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.897 -1.127 . . . . 0.0 110.24 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.603 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.7 mp -76.36 -35.49 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 120.448 -1.407 . . . . 0.0 108.659 178.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 100' ' ' PHE . . . -51.35 -28.41 12.29 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.766 -1.209 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -85.51 -31.66 22.63 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.561 -1.337 . . . . 0.0 111.957 -178.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -38.96 85.39 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.106 -0.996 . . . . 0.0 110.145 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -52.47 -31.19 33.65 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.742 -1.224 . . . . 0.0 108.073 177.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.64 -41.31 0.22 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 178.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.0 t 178.09 -42.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.106 -1.232 . . . . 0.0 110.554 178.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.489 ' O ' ' HB1' ' A' ' 94' ' ' ALA . 1.5 t80 -134.44 -60.85 0.79 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.691 -1.256 . . . . 0.0 109.718 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.5 2.059 0 O-C-N 120.917 -1.114 . . . . 0.0 110.164 -179.656 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.808 0 O4'-C1'-N19 110.972 2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.983 0 O4'-C1'-N19 111.052 2.852 . 0.098 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.022 2.822 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' N6 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 110.94 2.74 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.535 ' C6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.85 0 O4'-C1'-N19 111.243 3.043 . 0.404 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.463 ' H61' ' HE2' ' A' ' 22' ' ' LYS . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 O4'-C1'-N19 111.036 2.836 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.521 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C3'-C2'-C1' 104.621 3.467 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 O4'-C1'-N19 111.78 3.58 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 111.294 3.094 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.359 0 O4'-C1'-N19 111.245 3.045 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 O4'-C1'-N19 111.042 2.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 C3'-C2'-C1' 104.221 3.023 . 0.392 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.448 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C5'-C4'-C3' 111.669 -2.554 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.448 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 O4'-C1'-N19 110.932 2.732 . 0.879 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.08 2.88 . 0.599 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 111.139 2.939 . 0.153 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.019 2.819 . 0.22 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 O4'-C1'-N19 110.988 2.788 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 110.976 2.776 . 0.541 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.437 ' O2 ' ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 O4'-C1'-N19 111.161 2.961 . 0.084 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.462 " C1'" ' C6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.881 0 O4'-C1'-N19 110.884 2.684 . 0.128 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.462 ' C6 ' " C1'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.028 0 O4'-C1'-N19 110.755 2.555 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.46 " O2'" ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 110.689 2.489 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.704 0 O4'-C1'-N19 110.841 2.641 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C5'-C4'-C3' 111.599 -2.601 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 110.973 2.773 . 0.011 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.575 3.375 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.099 0 O4'-C1'-N19 111.033 2.833 . 0.202 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.396 3.196 . 0.207 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 0 O4'-C1'-N19 110.923 2.723 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.15 72.5 71.49 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.086 -1.009 . . . . 0.0 109.473 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.93 135.08 13.76 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.795 1.663 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.79 179.36 0.06 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.401 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.82 -60.91 1.79 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.434 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 2.3 mmm-85 57.9 92.79 0.06 OUTLIER Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.404 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.6 Cg_endo -76.0 144.61 27.25 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 121.634 1.556 . . . . 0.0 110.375 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.1 t-20 -128.32 -70.14 0.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.015 . . . . 0.0 109.917 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER 169.56 -44.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.166 -0.959 . . . . 0.0 109.167 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 56' ' ' VAL . 88.6 m -108.77 118.86 37.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 110.272 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -76.29 171.24 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.954 -1.091 . . . . 0.0 108.608 178.596 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -136.62 117.71 14.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.95 -1.094 . . . . 0.0 109.964 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 29' ' ' LEU . 6.4 mt -90.01 151.31 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.021 -1.049 . . . . 0.0 108.924 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -141.01 160.34 40.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.046 -1.034 . . . . 0.0 109.746 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.69 49.31 0.4 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.863 -1.148 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -83.51 -177.07 6.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.952 -1.092 . . . . 0.0 109.32 179.576 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -99.52 150.22 22.43 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.018 -1.051 . . . . 0.0 109.96 -179.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -105.59 61.3 0.67 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.131 -0.98 . . . . 0.0 109.474 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.9 -59.31 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.078 . . . . 0.0 109.55 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.977 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -54.88 155.49 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 O-C-N 121.158 -0.964 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.85 -170.35 3.03 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.225 -179.069 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HE2' ' H61' ' B' ' 24' ' ' ' A' . 4.3 mtmp? -82.82 -36.58 25.41 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.992 -1.067 . . . . 0.0 110.358 -179.4 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.48 -37.99 77.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.9 -1.125 . . . . 0.0 108.683 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.46 -45.59 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.994 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -65.56 -17.8 64.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.267 -0.896 . . . . 0.0 111.13 179.654 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -77.41 -33.44 55.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.473 -1.392 . . . . 0.0 109.636 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.17 -27.7 63.71 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.717 -1.239 . . . . 0.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -81.95 -41.85 20.24 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.708 -1.245 . . . . 0.0 110.628 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD2' HD13 ' A' ' 13' ' ' ILE . 8.0 mt -69.76 -58.79 3.47 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.798 -1.188 . . . . 0.0 109.849 -179.247 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 8.3 t-80 -52.55 -27.49 16.88 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.113 -0.992 . . . . 0.0 111.047 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.3 -69.13 0.52 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.634 -1.291 . . . . 0.0 110.355 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.29 -57.75 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.943 -1.098 . . . . 0.0 111.607 -178.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.8 m-85 -60.39 -37.59 81.26 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.843 -1.16 . . . . 0.0 110.673 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' N ' HD11 ' A' ' 39' ' ' ILE . 6.8 t -55.11 -36.42 65.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.788 -1.195 . . . . 0.0 110.239 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -51.88 -46.11 64.38 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.728 -1.232 . . . . 0.0 110.048 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -52.76 -57.39 10.29 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.964 -1.085 . . . . 0.0 109.716 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.15 -120.25 0.92 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.83 130.63 50.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.244 . . . . 0.0 109.284 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 66.0 mt -95.03 136.72 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.008 -1.058 . . . . 0.0 109.544 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mp -90.56 -41.13 11.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.032 -1.042 . . . . 0.0 109.421 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -161.14 160.17 29.91 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.064 -1.022 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 29' ' ' LEU . 13.2 tt -135.69 157.86 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.094 -1.004 . . . . 0.0 108.821 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 55' ' ' PHE . 4.9 mp -131.17 126.15 34.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.895 -1.128 . . . . 0.0 109.943 -179.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 44' ' ' VAL . 23.5 t -123.16 22.34 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -47.29 144.14 2.99 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.787 -1.196 . . . . 0.0 110.567 -179.586 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' SER . 16.5 mtm180 -97.81 -75.37 0.55 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 46' ' ' ARG . 79.6 p 47.81 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.955 -1.091 . . . . 0.0 110.164 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' HB2' " C1'" ' B' ' 25' ' ' ' G' . 3.9 tt -81.97 -37.05 27.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.498 -1.376 . . . . 0.0 109.571 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.03 -41.78 70.36 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.931 -1.105 . . . . 0.0 110.098 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 11.0 mmt -93.97 59.02 2.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.898 -1.126 . . . . 0.0 109.404 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' HB3' ' N2 ' ' B' ' 42' ' ' ' G' . 1.1 tpt85 -100.54 46.88 0.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.973 -1.08 . . . . 0.0 109.059 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.38 58.56 0.03 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.657 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -178.4 171.9 1.55 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.126 -1.22 . . . . 0.0 109.953 -179.434 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -156.56 173.1 17.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.507 -1.371 . . . . 0.0 110.692 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CE2' ' C4 ' ' B' ' 44' ' ' ' A' . 51.7 m-85 -128.11 113.5 15.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.158 -0.964 . . . . 0.0 108.987 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' THR . 42.0 t -103.79 140.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.889 -1.132 . . . . 0.0 109.446 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.68 HG21 HD11 ' A' ' 92' ' ' ILE . 39.7 mt -119.99 145.77 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.009 -1.057 . . . . 0.0 109.378 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' ALA . 16.5 m-85 -119.86 150.61 40.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.931 -1.105 . . . . 0.0 109.285 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -40.77 70.09 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.019 -1.051 . . . . 0.0 109.476 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.7 164.19 15.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.117 -0.99 . . . . 0.0 109.451 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG22 ' ND1' ' A' ' 9' ' ' HIS . 38.9 t -74.6 -38.7 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.061 -1.024 . . . . 0.0 109.691 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 p -60.3 -34.49 73.85 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.065 -1.022 . . . . 0.0 110.295 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -36.86 77.01 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.832 -1.167 . . . . 0.0 110.338 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.65 -33.15 62.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.827 -1.17 . . . . 0.0 109.367 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.6 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -59.48 -38.77 81.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.986 -1.071 . . . . 0.0 109.436 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -36.85 66.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.959 -1.088 . . . . 0.0 109.479 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.64 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.15 -7.12 54.07 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.878 -1.139 . . . . 0.0 111.512 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -98.86 -42.97 6.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.328 -1.482 . . . . 0.0 110.292 -179.44 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -76.94 -40.23 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.918 -1.114 . . . . 0.0 109.858 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -63.16 -38.86 92.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.997 -1.065 . . . . 0.0 109.653 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.406 ' HB3' HD11 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -107.29 37.91 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.986 -1.071 . . . . 0.0 109.79 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 98.25 9.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.008 -1.057 . . . . 0.0 109.107 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.41 55.2 2.51 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -123.47 156.41 64.18 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.04 -1.27 . . . . 0.0 109.636 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.68 135.72 14.69 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.824 1.682 . . . . 0.0 110.093 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -137.12 -59.81 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.045 -1.035 . . . . 0.0 109.663 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.977 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -110.62 66.78 0.63 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.029 -1.044 . . . . 0.0 109.825 -179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.3 40.33 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.0 109.907 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 178.72 155.98 0.59 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.963 -1.085 . . . . 0.0 110.135 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.99 147.49 23.99 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.893 1.729 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.57 137.9 24.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.984 -1.073 . . . . 0.0 109.853 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -101.28 150.98 22.42 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.985 . . . . 0.0 109.208 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 68' ' ' LEU . 63.4 mt -112.85 141.82 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.14 -0.975 . . . . 0.0 109.875 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -146.93 135.78 22.25 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 109.019 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' OH ' HG23 ' A' ' 65' ' ' THR . 30.7 m-85 -48.03 170.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.908 -1.12 . . . . 0.0 110.762 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.15 -170.1 2.94 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.076 -1.015 . . . . 0.0 109.591 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 12.7 mmtt -87.74 -46.9 9.07 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.18 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.7 p -122.31 179.62 4.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 109.818 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 11.6 m-20 -70.76 -179.31 2.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.091 -1.006 . . . . 0.0 109.208 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.457 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -93.52 156.22 16.87 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.031 -1.043 . . . . 0.0 109.659 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.47 -32.76 23.82 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.011 . . . . 0.0 110.116 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pt -60.26 -27.26 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.719 -1.238 . . . . 0.0 110.254 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp -79.11 -30.42 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 O-C-N 120.528 -1.357 . . . . 0.0 109.075 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.53 -30.87 14.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.584 -1.322 . . . . 0.0 110.349 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -93.49 -24.37 18.03 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.67 -1.269 . . . . 0.0 111.951 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.454 ' HE3' ' N ' ' A' ' 96' ' ' MET . 28.2 mmt -66.1 -29.34 69.65 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.948 -1.095 . . . . 0.0 110.354 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -35.23 6.04 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.793 -1.192 . . . . 0.0 109.094 178.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.98 -56.44 0.18 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 t 179.81 49.69 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.0 -1.294 . . . . 0.0 110.273 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 13.5 t80 43.92 37.4 1.7 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.12 -0.987 . . . . 0.0 111.275 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.499 2.009 0 O-C-N 120.988 -1.07 . . . . 0.0 110.14 -179.747 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.54 ' N2 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C3'-C2'-C1' 104.233 3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.54 ' C6 ' ' N2 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.626 3.426 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.511 ' N4 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 110.804 2.604 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.511 ' N6 ' ' N4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.972 2.772 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.439 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.843 0 O4'-C1'-N19 111.27 3.07 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.46 ' C6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C3'-C2'-C1' 103.959 2.733 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.54 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 C3'-C2'-C1' 104.426 3.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.54 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 O4'-C1'-N19 111.495 3.295 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 110.958 2.758 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.533 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.198 0 O4'-C1'-N19 111.546 3.346 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.533 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C3'-C2'-C1' 104.175 2.972 . 0.352 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.907 0 C5'-C4'-C3' 111.649 -2.567 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 110.875 2.675 . 0.907 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 O4'-C1'-N19 111.046 2.846 . 0.581 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.427 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.095 2.895 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.427 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.078 0 O4'-C1'-N19 111.139 2.939 . 0.24 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.162 2.962 . 0.339 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.893 0 O4'-C1'-N19 111.024 2.824 . 0.291 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.139 2.939 . 0.418 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.415 " O2'" ' OP2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.858 0 O4'-C1'-N19 110.94 2.74 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.593 ' C5 ' ' NE2' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 110.848 2.648 . 0.371 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.967 0 O4'-C1'-N19 110.927 2.727 . 0.017 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.604 ' H61' HG21 ' A' ' 10' ' ' THR . . . . . . . . 0 O4'--C1' 1.438 1.985 0 O4'-C1'-N19 110.923 2.723 . 0.391 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.535 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 O4'-C1'-N19 110.922 2.722 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.973 0 O4'-C1'-N19 111.175 2.975 . 0.365 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.116 2.916 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.549 ' C6 ' ' N4 ' ' B' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C5'-C4'-C3' 111.77 -2.487 . 0.419 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . 0.549 ' N4 ' ' C6 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 111.317 3.117 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.33 3.13 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 2' ' ' VAL . 29.7 m -144.56 63.17 10.51 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.074 -1.017 . . . . 0.0 109.516 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.19 -41.94 0.33 Allowed 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.722 1.615 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.23 -168.65 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.092 -1.005 . . . . 0.0 109.354 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.0 m 58.43 54.83 5.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.971 -1.08 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -50.52 160.38 0.75 Allowed Pre-proline 0 N--CA 1.504 2.239 0 O-C-N 121.001 -1.062 . . . . 0.0 109.966 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.78 112.74 3.35 Favored 'Trans proline' 0 C--N 1.323 -0.786 0 C-N-CA 121.911 1.741 . . . . 0.0 110.522 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -139.31 -168.19 2.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.011 -1.055 . . . . 0.0 108.68 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HD1' HG22 ' A' ' 61' ' ' VAL . 2.0 p-80 -120.79 49.79 1.42 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.805 -1.184 . . . . 0.0 109.268 179.367 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HG13 ' A' ' 57' ' ' ILE . 8.3 m -144.78 86.16 1.79 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 108.954 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 68' ' ' LEU . 26.0 pt -68.26 168.39 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.059 -1.025 . . . . 0.0 109.832 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 46.8 t80 -150.08 138.92 20.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.113 -0.992 . . . . 0.0 109.235 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.8 133.49 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.072 -1.018 . . . . 0.0 109.01 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 9.6 p-10 -129.06 40.06 3.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.154 -0.966 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -141.81 42.56 1.71 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.059 -1.025 . . . . 0.0 109.168 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 3.6 mp -96.28 -178.38 4.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.158 -0.964 . . . . 0.0 109.502 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' HD11 ' A' ' 20' ' ' ILE . 49.6 t30 -77.49 157.82 30.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.026 -1.046 . . . . 0.0 108.989 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.91 35.4 2.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.16 -0.962 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -150.07 35.87 0.67 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.864 -1.148 . . . . 0.0 109.782 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.885 HD12 ' CD2' ' A' ' 77' ' ' TYR . 15.3 mm -95.61 154.21 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.935 -1.103 . . . . 0.0 110.004 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.07 -179.67 7.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -86.16 -39.99 16.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.893 -1.129 . . . . 0.0 109.168 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.34 -27.43 56.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 108.729 178.299 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.1 tt0 -72.78 -45.03 60.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.853 -1.155 . . . . 0.0 110.168 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.739 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.62 -35.43 78.92 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.875 -1.141 . . . . 0.0 110.276 -179.494 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -22.43 59.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.872 -1.143 . . . . 0.0 110.649 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -80.0 -31.86 39.69 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.506 -1.371 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.8 m -77.11 -38.29 52.52 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.712 -1.242 . . . . 0.0 110.21 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.68 -51.91 17.45 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.85 -1.156 . . . . 0.0 109.636 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' OG ' ' A' ' 34' ' ' SER . 13.3 t60 -53.29 -28.62 28.94 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.122 -0.986 . . . . 0.0 110.764 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.38 -68.46 0.66 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.697 -1.252 . . . . 0.0 110.087 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -44.76 -59.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.967 -1.083 . . . . 0.0 112.346 -178.559 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' HG21 ' A' ' 56' ' ' VAL . 23.6 m-85 -62.88 -40.83 98.74 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.751 -1.218 . . . . 0.0 111.229 -178.589 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 20.3 p -52.34 -33.67 43.83 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.746 -1.221 . . . . 0.0 110.631 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -54.31 -49.85 68.7 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.686 -1.259 . . . . 0.0 109.793 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -55.47 -59.64 4.53 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 109.766 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.72 -148.35 4.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -98.82 144.05 28.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.071 -1.253 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 57' ' ' ILE . 45.3 mt -106.45 136.04 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.087 -1.008 . . . . 0.0 109.199 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 59' ' ' LYS . 92.2 mt -76.36 -42.14 45.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.951 -1.093 . . . . 0.0 109.367 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -176.46 152.85 1.1 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.169 -0.957 . . . . 0.0 110.497 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.438 HG12 HG13 ' A' ' 56' ' ' VAL . 46.5 mt -122.96 130.44 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 108.955 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.01 108.0 17.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.005 -1.059 . . . . 0.0 109.924 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.31 143.63 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.06 -1.025 . . . . 0.0 108.951 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.46 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 1.8 m -125.26 147.2 49.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.875 -1.141 . . . . 0.0 109.82 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -122.82 36.53 4.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 109.888 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.4 p -93.28 176.11 6.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.874 -1.141 . . . . 0.0 109.045 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 1.4 tt -66.22 -56.8 9.54 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.924 -1.11 . . . . 0.0 109.567 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.57 -41.04 89.26 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.035 -1.041 . . . . 0.0 109.369 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.93 60.46 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.95 137.38 40.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 109.52 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 60.96 39.57 97.2 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.593 ' NE2' ' C5 ' ' B' ' 42' ' ' ' G' . 33.9 mt-30 -133.28 158.19 43.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.022 -1.281 . . . . 0.0 109.308 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.7 141.06 17.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.988 -1.07 . . . . 0.0 110.478 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.451 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 87.0 m-85 -111.12 141.46 44.59 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.068 -1.02 . . . . 0.0 108.945 179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 33' ' ' PHE . 19.3 t -134.75 126.09 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.927 -1.108 . . . . 0.0 109.175 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.828 HG13 HG23 ' A' ' 10' ' ' THR . 4.6 mp -110.66 157.61 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.05 -1.031 . . . . 0.0 108.512 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.926 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 81.5 m-85 -128.09 155.89 43.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.027 -1.046 . . . . 0.0 109.78 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.3 tttm -44.52 -34.64 2.17 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.473 -0.767 . . . . 0.0 111.459 -178.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -151.49 -174.06 4.71 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.766 -1.209 . . . . 0.0 110.22 -179.364 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.627 HG22 ' HD1' ' A' ' 9' ' ' HIS . 3.1 t -85.07 87.03 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.242 -0.911 . . . . 0.0 109.257 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -49.45 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.098 -1.001 . . . . 0.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 8.5 t -63.21 -37.43 87.2 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.976 -1.077 . . . . 0.0 109.31 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -71.6 -37.23 70.99 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.809 -1.182 . . . . 0.0 108.4 178.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 16.2 m -55.66 -37.98 68.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -0.955 . . . . 0.0 109.92 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -73.79 -36.06 64.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.966 -1.084 . . . . 0.0 109.523 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -74.95 -8.41 56.42 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.799 -1.188 . . . . 0.0 111.108 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -99.29 -37.15 9.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.351 -1.468 . . . . 0.0 110.658 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -83.35 -31.75 26.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.753 -1.217 . . . . 0.0 110.93 -179.205 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.49 24.77 6.27 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.744 -1.222 . . . . 0.0 111.356 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 10.1 mtp -147.05 40.59 1.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.546 -1.346 . . . . 0.0 109.661 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.62 102.41 12.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.982 -1.074 . . . . 0.0 109.139 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.26 56.57 2.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -99.65 163.57 18.25 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.169 -1.195 . . . . 0.0 109.591 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 124.68 6.35 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 122.058 1.839 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -147.55 107.49 4.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 109.179 179.787 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.885 ' CD2' HD12 ' A' ' 20' ' ' ILE . 95.0 m-85 59.08 44.29 16.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 0.0 109.693 -179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.61 65.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -179.95 142.41 0.35 Allowed Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.919 -1.113 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.72 125.08 6.56 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 121.63 1.553 . . . . 0.0 109.837 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.48 135.43 51.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.963 -1.086 . . . . 0.0 110.138 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -103.86 150.66 23.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.129 -0.982 . . . . 0.0 109.064 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' HG ' ' A' ' 68' ' ' LEU . 64.2 mt -111.16 138.48 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 0.0 110.273 -179.467 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.531 ' C ' HD11 ' A' ' 68' ' ' LEU . 21.7 pt20 -149.43 136.59 19.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -0.924 . . . . 0.0 108.855 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 17.3 m-85 -48.73 166.43 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.88 -1.137 . . . . 0.0 110.185 -179.263 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.2 176.3 7.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.003 -1.06 . . . . 0.0 109.52 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -80.23 -49.02 12.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.123 -0.985 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.8 p -106.91 179.72 4.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.125 -0.984 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.434 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 11.3 m-20 -89.24 179.53 6.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.053 -1.03 . . . . 0.0 109.234 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 4.8 t -86.43 156.44 20.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.014 -1.054 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -75.99 -29.69 58.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.01 -1.056 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.624 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.0 pp -60.3 -24.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.729 -1.232 . . . . 0.0 109.189 178.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.637 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -71.94 -39.35 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.477 -1.389 . . . . 0.0 107.805 177.696 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.96 63.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.174 -0.954 . . . . 0.0 110.131 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -84.87 -21.45 29.76 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.626 -1.296 . . . . 0.0 112.182 -179.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 39.3 mmt -64.38 -34.82 79.04 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.848 -1.157 . . . . 0.0 109.822 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.51 -36.49 10.37 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.991 -1.068 . . . . 0.0 109.28 179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' HG22 ' A' ' 99' ' ' THR . . . 157.0 77.03 0.02 OUTLIER Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 178.532 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.406 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.0 t 38.66 44.98 0.85 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.754 -0.85 . . . . 0.0 111.379 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 45.2 91.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.182 -0.948 . . . . 0.0 111.096 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.499 2.007 0 O-C-N 120.959 -1.088 . . . . 0.0 110.24 -179.745 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 O4'-C1'-N19 110.967 2.767 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 111.025 2.825 . 0.386 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 110.973 2.773 . 0.128 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.445 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.013 0 O4'-C1'-N19 110.909 2.709 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.462 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 O4'-C1'-N19 111.244 3.044 . 0.044 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.486 ' C2 ' ' HB2' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.534 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C3'-C2'-C1' 104.289 3.099 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.534 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.161 2.961 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 O4'-C1'-N19 110.984 2.784 . 0.328 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.274 0 O4'-C1'-N19 111.533 3.333 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.049 2.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C3'-C2'-C1' 104.193 2.993 . 0.3 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.044 0 C5'-C4'-C3' 111.663 -2.558 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 110.926 2.726 . 0.899 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.104 2.904 . 0.606 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 111.063 2.863 . 0.074 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.993 0 O4'-C1'-N19 111.107 2.907 . 0.273 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.16 2.96 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.814 0 O4'-C1'-N19 110.996 2.796 . 0.462 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.52 " O2'" ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.185 2.985 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 C5'-C4'-C3' 111.495 -2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.52 ' N2 ' " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 110.865 2.665 . 0.015 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.439 HO2' ' P ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.61 1.735 0 O4'-C1'-N19 110.903 2.703 . 0.076 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.439 ' P ' HO2' ' B' ' 43' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.874 2.674 . 0.04 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.452 ' N3 ' ' HB2' ' A' ' 91' ' ' ASP . . . . . . . . 0 O4'--C1' 1.439 2.058 0 O4'-C1'-N19 111.533 3.333 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.089 0 O4'-C1'-N19 111.481 3.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.594 3.394 . 0.118 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.429 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.07 0 O4'-C1'-N19 111.053 2.853 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 O4'-C1'-N19 111.367 3.167 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 110.916 2.716 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 2' ' ' VAL . 17.3 m -147.14 77.34 10.89 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.001 -1.062 . . . . 0.0 109.805 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.12 -51.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 121.774 1.649 . . . . 0.0 110.374 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -89.7 124.72 34.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.975 . . . . 0.0 109.509 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.78 76.13 1.38 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.028 -1.045 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -60.54 142.42 91.14 Favored Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 120.993 -1.067 . . . . 0.0 108.851 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.3 Cg_endo -78.88 110.71 2.84 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.573 1.515 . . . . 0.0 110.443 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.3 m120 -103.72 -175.22 2.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.063 -1.023 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -102.4 36.26 2.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.032 -1.042 . . . . 0.0 109.869 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 90' ' ' SER . 60.4 m -167.29 109.03 0.64 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.853 -1.154 . . . . 0.0 109.981 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.695 HG23 ' HB1' ' A' ' 64' ' ' ALA . 27.7 pt -77.0 164.67 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.911 -1.118 . . . . 0.0 109.527 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 40.3 t80 -139.98 148.13 41.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.967 . . . . 0.0 109.111 -179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 16' ' ' LEU . 3.1 mt -128.55 143.7 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.377 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.01 -176.94 4.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.037 -1.039 . . . . 0.0 109.415 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.94 45.09 15.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.867 -1.145 . . . . 0.0 109.254 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 13' ' ' ILE . 4.9 mp -92.29 -176.14 4.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.053 -1.029 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -84.11 152.76 24.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.005 -1.059 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.55 49.3 0.98 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 0.0 109.712 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -152.14 37.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.007 -1.058 . . . . 0.0 109.935 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 25' ' ' LEU . 13.2 mm -91.68 155.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -100.98 27.58 5.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.917 . . . . 0.0 111.333 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 69.1 -82.56 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.467 -0.77 . . . . 0.0 112.032 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.52 -27.06 62.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.358 -1.464 . . . . 0.0 108.806 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.97 -43.5 92.44 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.003 -1.061 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.783 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.5 tp -67.48 -18.5 65.09 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.869 -1.144 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -81.69 -35.75 29.49 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.46 -1.4 . . . . 0.0 109.872 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -71.13 -36.42 72.11 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.815 -1.178 . . . . 0.0 109.865 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -74.65 -38.68 62.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.863 -1.148 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 25' ' ' LEU . 13.7 mt -65.37 -31.01 71.9 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.929 -1.107 . . . . 0.0 110.542 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -70.04 -26.47 64.05 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.749 -1.22 . . . . 0.0 111.149 -179.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -47.22 10.72 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.55 -1.344 . . . . 0.0 110.48 -179.209 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -60.81 -49.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 120.904 -1.122 . . . . 0.0 110.664 -179.016 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' C ' HD11 ' A' ' 39' ' ' ILE . 55.2 m-85 -91.24 23.7 3.22 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.036 -1.04 . . . . 0.0 112.665 -178.181 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -102.64 -44.99 5.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.34 -1.475 . . . . 0.0 110.225 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -47.05 -32.56 4.12 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.842 -1.161 . . . . 0.0 110.926 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 59.6 m-85 -56.46 -64.18 0.95 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.76 -1.212 . . . . 0.0 109.923 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.54 61.36 0.15 Allowed Glycine 0 N--CA 1.5 2.924 0 C-N-CA 119.466 -1.349 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 61.44 148.83 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.388 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 42' ' ' ILE . 44.5 mt -119.0 143.45 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.007 -1.058 . . . . 0.0 108.995 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' CD2' HD12 ' A' ' 92' ' ' ILE . 7.3 mp -86.0 -63.05 1.38 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.877 -179.749 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.78 155.69 42.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.839 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 39' ' ' ILE . 64.4 mt -141.94 113.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.406 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.71 167.99 12.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.115 -0.991 . . . . 0.0 109.3 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.65 -178.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.966 -1.084 . . . . 0.0 109.101 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -54.17 175.67 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.898 -1.126 . . . . 0.0 109.533 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB2' ' C2 ' ' B' ' 24' ' ' ' A' . 0.0 OUTLIER 179.29 48.21 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.989 -1.069 . . . . 0.0 110.667 -179.352 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 3.5 p 157.54 175.53 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.836 0 O-C-N 121.445 -0.785 . . . . 0.0 109.336 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 1.1 tt -66.21 -52.16 50.64 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.899 -1.126 . . . . 0.0 109.785 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -49.12 -36.75 19.74 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.045 -1.034 . . . . 0.0 110.633 -179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mmm -102.41 62.49 0.86 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.898 -1.126 . . . . 0.0 109.655 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HB3' ' H22' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -101.88 57.79 0.83 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 109.38 179.741 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.03 59.69 0.02 OUTLIER Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 1.3 pm0 -175.02 155.3 1.97 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.044 -1.268 . . . . 0.0 110.157 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.4 7.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.037 -1.039 . . . . 0.0 109.872 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -135.53 127.74 30.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.0 109.132 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 61.0 t -122.92 137.21 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.797 ' CG2' HD11 ' A' ' 92' ' ' ILE . 3.7 mt -122.6 126.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.111 -0.993 . . . . 0.0 108.695 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 33' ' ' PHE . 67.5 m-85 -96.65 159.91 14.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.944 -1.097 . . . . 0.0 109.517 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 40' ' ' LEU . 23.3 tttt -56.98 -40.17 76.03 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.044 -1.035 . . . . 0.0 109.234 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.77 172.12 7.74 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.1 -1.0 . . . . 0.0 109.365 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 8' ' ' ASN . 42.0 t -81.3 -35.94 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.109 -0.995 . . . . 0.0 109.855 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.8 p -58.72 -36.61 74.56 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.905 -1.122 . . . . 0.0 110.132 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -37.15 83.06 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.812 -1.18 . . . . 0.0 110.211 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -71.41 -28.69 64.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.866 -1.146 . . . . 0.0 109.336 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.478 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.9 m -65.66 -41.08 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.94 -1.1 . . . . 0.0 109.43 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.46 -42.18 92.6 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 108.821 179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -55.5 -36.32 66.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.062 -1.024 . . . . 0.0 109.756 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -69.61 -38.24 77.17 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.918 -1.114 . . . . 0.0 109.774 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -92.36 13.23 20.04 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.928 -1.108 . . . . 0.0 111.367 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.64 -51.24 3.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.408 -1.432 . . . . 0.0 109.308 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mtp -110.12 39.99 2.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.045 . . . . 0.0 109.402 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 112.75 1.59 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.27 65.44 3.37 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -127.5 160.1 62.19 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.084 -1.245 . . . . 0.0 109.675 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.19 133.83 12.45 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.865 1.71 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.48 ' CE1' HD13 ' A' ' 32' ' ' ILE . 18.5 t80 -125.1 -60.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 108.996 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.682 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -115.76 64.37 0.69 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.02 -1.05 . . . . 0.0 109.094 179.475 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 61.97 44.76 7.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.926 -1.109 . . . . 0.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.34 146.11 0.53 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.082 -1.011 . . . . 0.0 110.021 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.87 148.08 27.9 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.611 1.541 . . . . 0.0 110.093 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.43 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -151.27 138.18 19.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 110.421 -179.535 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 150.89 20.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 108.684 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 68' ' ' LEU . 63.3 mt -110.18 136.61 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.531 -179.331 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -133.03 140.36 47.69 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 7.1 m-85 -51.42 172.92 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.873 -1.142 . . . . 0.0 109.696 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -89.71 172.12 9.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.001 -1.062 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' HG3' ' C2 ' ' B' ' 43' ' ' ' C' . 0.2 OUTLIER -91.92 -43.18 9.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.989 -1.069 . . . . 0.0 109.167 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -109.86 179.37 4.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 1.8 m-20 -94.96 167.34 11.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.027 -1.046 . . . . 0.0 109.196 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 1.7 t -94.22 165.95 12.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 27.2 t70 -98.55 -13.49 20.41 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.04 -1.038 . . . . 0.0 111.412 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.797 HD11 ' CG2' ' A' ' 57' ' ' ILE . 2.5 pt -57.02 -24.31 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.346 -1.471 . . . . 0.0 109.647 178.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.709 HD13 HG13 ' A' ' 92' ' ' ILE . 1.2 mm -75.88 -42.5 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.571 -1.331 . . . . 0.0 107.6 178.393 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.14 -37.82 16.42 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.25 -0.906 . . . . 0.0 110.288 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -62.58 -49.11 76.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.869 -1.144 . . . . 0.0 109.542 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -59.26 175.95 0.27 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.646 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 96' ' ' MET . 3.6 ttpt 92.9 -49.77 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -176.32 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.409 ' C ' HG22 ' A' ' 99' ' ' THR . . . 166.45 61.55 0.03 OUTLIER Glycine 0 N--CA 1.485 1.921 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.2 t 38.85 57.94 1.81 Allowed 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.749 -0.853 . . . . 0.0 111.268 -179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 46.43 -169.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.105 -0.997 . . . . 0.0 110.85 179.149 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.025 -1.047 . . . . 0.0 109.094 -179.857 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 O4'-C1'-N19 110.878 2.678 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.869 0 O4'-C1'-N19 110.963 2.763 . 0.337 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.419 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 111.008 2.808 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.509 ' N3 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 O4'-C1'-N19 110.914 2.714 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.487 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.212 3.012 . 0.074 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.54 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.378 3.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.477 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C3'-C2'-C1' 104.494 3.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.459 3.259 . 0.036 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 110.953 2.753 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.541 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.35 0 O4'-C1'-N19 111.454 3.254 . 0.178 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.541 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.111 2.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C3'-C2'-C1' 104.185 2.983 . 0.424 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C5'-C4'-C3' 111.66 -2.56 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 110.961 2.761 . 0.889 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 111.101 2.901 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.025 2.825 . 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.039 2.839 . 0.233 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.187 2.987 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.738 0 O4'-C1'-N19 111.121 2.921 . 0.499 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.494 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 O4'-C1'-N19 111.053 2.853 . 0.055 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.11 0 C5'-C4'-C3' 111.453 -2.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 110.85 2.65 . 0.484 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.466 ' C2 ' ' HG2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.944 0 C5'-C4'-C3' 111.608 -2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.416 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.902 0 O4'-C1'-N19 111.115 2.915 . 0.068 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.473 ' H42' ' HA ' ' A' ' 90' ' ' SER . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C5'-C4'-C3' 111.626 -2.583 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . 0.54 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.15 2.95 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.392 3.192 . 0.086 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.509 ' N2 ' ' N3 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 O4'-C1'-N19 111.022 2.822 . 0.114 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.345 3.145 . 0.235 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 110.828 2.628 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.5 p -142.87 62.88 12.79 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.09 -42.57 0.29 Allowed 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 121.85 1.7 . . . . 0.0 110.512 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.02 179.91 0.08 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.214 -0.929 . . . . 0.0 109.265 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.08 98.66 3.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.97 -1.081 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -97.54 148.08 33.92 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.071 -1.018 . . . . 0.0 109.071 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.5 142.01 18.16 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 121.591 1.527 . . . . 0.0 110.491 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 61' ' ' VAL . 20.8 m120 -142.64 178.35 7.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.084 -1.01 . . . . 0.0 109.301 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.57 32.11 3.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.071 . . . . 0.0 110.252 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 56' ' ' VAL . 90.4 m -168.36 127.96 1.22 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.942 -1.099 . . . . 0.0 109.876 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CE1' ' A' ' 33' ' ' PHE . 1.2 pp -90.18 171.65 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.927 -1.108 . . . . 0.0 108.99 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 21.5 t80 -147.98 121.47 9.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.995 -1.065 . . . . 0.0 109.652 -178.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.1 mt -109.8 141.76 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.983 -1.073 . . . . 0.0 109.365 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -138.08 -174.01 3.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.048 -1.032 . . . . 0.0 109.654 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 60.4 43.58 13.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.025 -1.047 . . . . 0.0 109.403 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 53' ' ' GLN . 19.6 mt -93.52 -179.64 5.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -75.94 153.15 36.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.044 -1.035 . . . . 0.0 109.523 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -101.6 50.31 0.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.0 109.634 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -153.73 39.67 0.49 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.009 -1.057 . . . . 0.0 109.665 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 25' ' ' LEU . 4.1 mt -109.31 159.08 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 108.954 -179.338 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.9 mmmt -112.22 29.83 7.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.001 -1.079 . . . . 0.0 112.721 -178.431 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 81.05 -67.02 0.12 Allowed 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 118.915 0.779 . . . . 0.0 112.171 178.21 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -56.86 -27.79 60.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.561 -1.337 . . . . 0.0 109.184 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' HB3' HG23 ' A' ' 20' ' ' ILE . 1.6 tt0 -65.97 -46.69 77.19 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.127 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.84 ' HG ' HG21 ' A' ' 20' ' ' ILE . 82.8 mt -67.91 -14.73 63.2 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.961 -1.087 . . . . 0.0 111.362 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -89.02 -26.77 21.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.298 -1.501 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -80.39 -31.62 37.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.57 -1.331 . . . . 0.0 109.528 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.2 m -87.83 -38.2 15.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.811 -1.18 . . . . 0.0 110.129 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.43 -51.33 15.23 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.894 -1.129 . . . . 0.0 109.393 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.55 -27.89 41.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 110.53 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.17 -69.42 0.58 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.595 -1.316 . . . . 0.0 110.162 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -47.01 -59.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.869 -1.144 . . . . 0.0 112.179 -178.488 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 32' ' ' ILE . 83.9 m-85 -60.38 -34.21 73.56 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.721 -1.237 . . . . 0.0 111.398 -178.622 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.518 ' N ' HD11 ' A' ' 39' ' ' ILE . 30.1 p -62.65 -32.0 72.96 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.648 -1.283 . . . . 0.0 110.767 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -35.47 18.71 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.63 -1.294 . . . . 0.0 110.624 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE1' ' ND2' ' A' ' 66' ' ' ASN . 82.8 m-85 -93.01 63.83 3.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.833 -1.167 . . . . 0.0 109.994 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.11 -139.51 14.44 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.516 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -129.85 149.49 51.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.24 . . . . 0.0 109.553 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.518 HD11 ' N ' ' A' ' 34' ' ' SER . 38.3 mt -101.0 119.71 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.06 -43.17 91.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.032 -1.043 . . . . 0.0 109.122 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.75 161.15 0.97 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.283 -0.886 . . . . 0.0 110.276 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.95 129.35 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.26 117.5 34.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.968 -1.082 . . . . 0.0 109.887 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 25' ' ' LEU . 7.2 t -113.51 160.57 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 108.594 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.462 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 0.7 OUTLIER -149.82 169.53 20.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.914 -1.116 . . . . 0.0 110.149 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -136.39 39.69 2.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 0.0 109.68 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.4 p -89.29 176.28 7.0 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.984 -1.072 . . . . 0.0 108.728 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD21 " O2'" ' B' ' 40' ' ' ' U' . 1.8 tt -59.0 -57.43 13.1 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.929 -1.107 . . . . 0.0 109.479 -179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -59.64 -40.63 88.3 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.077 -1.014 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.402 ' HG3' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -98.81 59.16 1.21 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.969 -1.082 . . . . 0.0 109.309 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 54.79 0.82 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.67 60.25 0.06 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -176.86 153.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.055 -1.262 . . . . 0.0 110.091 -179.913 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.17 10.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.947 -1.096 . . . . 0.0 110.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 32.1 m-85 -126.85 144.02 51.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.104 -0.998 . . . . 0.0 109.186 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 10' ' ' THR . 24.4 t -122.22 143.57 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.05 -1.031 . . . . 0.0 109.692 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.641 ' CG2' HD11 ' A' ' 93' ' ' ILE . 11.3 mt -111.59 147.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.031 -1.043 . . . . 0.0 108.787 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 71.4 m-85 -126.92 146.09 50.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.005 . . . . 0.0 109.731 -179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -49.84 -39.23 38.28 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.046 -1.034 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -129.32 167.43 17.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.098 -1.002 . . . . 0.0 109.266 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 8' ' ' ASN . 44.0 t -72.8 -38.5 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.085 -1.009 . . . . 0.0 109.624 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -61.04 -35.99 78.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.005 -1.059 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -56.8 -36.51 69.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.756 -1.215 . . . . 0.0 110.397 -179.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -74.56 -32.92 62.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.142 . . . . 0.0 109.414 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.631 HG23 ' OH ' ' A' ' 85' ' ' TYR . 2.2 m -60.16 -38.91 84.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.01 -1.056 . . . . 0.0 109.854 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.545 ' ND2' ' CE1' ' A' ' 36' ' ' PHE . 2.3 t30 -73.29 -38.49 65.86 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 109.446 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -70.11 -13.27 62.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.903 -1.123 . . . . 0.0 111.398 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -94.87 -40.37 9.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.351 -1.468 . . . . 0.0 110.289 -179.229 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -68.72 -39.69 80.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.918 -1.114 . . . . 0.0 109.869 -179.673 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 m -67.15 -37.52 83.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.997 -1.064 . . . . 0.0 109.788 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' ILE . 94.6 mmm -105.5 36.39 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.896 -1.127 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -73.39 108.74 6.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.819 -1.175 . . . . 0.0 108.941 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.42 73.8 0.46 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -121.69 162.98 33.73 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.044 -1.268 . . . . 0.0 109.906 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.39 115.5 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.121 1.88 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -140.05 130.4 25.31 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.017 -1.052 . . . . 0.0 108.483 179.538 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CD2' HG12 ' A' ' 20' ' ' ILE . 10.5 m-85 59.77 38.68 21.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.94 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 54.57 64.59 1.76 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.899 -1.126 . . . . 0.0 110.368 179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tttt 179.12 143.72 0.33 Allowed Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 120.776 -1.202 . . . . 0.0 110.079 179.521 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.61 117.95 4.42 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.502 1.468 . . . . 0.0 109.787 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -126.46 127.14 44.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.989 -1.07 . . . . 0.0 110.232 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -96.59 149.44 21.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.118 -0.989 . . . . 0.0 108.693 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.7 mt -107.41 137.49 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.079 -1.013 . . . . 0.0 110.268 -179.397 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.47 141.14 37.4 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.631 ' OH ' HG23 ' A' ' 65' ' ' THR . 18.2 m-85 -52.55 177.71 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.803 -1.186 . . . . 0.0 109.867 -179.636 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.13 -179.64 4.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.971 -1.081 . . . . 0.0 109.54 -179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 0.2 OUTLIER -82.54 -52.46 6.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.118 -0.989 . . . . 0.0 108.754 179.836 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -117.81 179.8 3.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.119 -0.988 . . . . 0.0 109.22 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 177.38 8.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.04 -1.038 . . . . 0.0 109.097 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.473 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.1 OUTLIER -80.44 165.51 22.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.948 -1.095 . . . . 0.0 109.179 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -34.37 34.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 -179.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.809 HG22 ' CE2' ' A' ' 100' ' ' PHE . 39.7 pt -63.51 -37.18 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.809 -1.182 . . . . 0.0 109.882 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.2 mp -63.14 -32.36 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.817 -1.177 . . . . 0.0 108.446 178.681 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.84 -54.67 14.28 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.847 -1.158 . . . . 0.0 110.817 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 50.8 mttm -98.13 1.72 47.81 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 120.059 -0.657 . . . . 0.0 112.095 -177.369 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 40.0 mmm -73.67 -23.15 59.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 108.744 178.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -48.91 -35.46 14.95 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 175.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.15 -80.85 0.85 Allowed Glycine 0 N--CA 1.478 1.486 0 N-CA-C 108.03 -2.028 . . . . 0.0 108.03 176.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 99' ' ' THR . 4.9 t -154.46 93.28 1.58 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.013 -1.286 . . . . 0.0 110.788 179.369 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CE2' HG22 ' A' ' 92' ' ' ILE . 69.1 t80 -66.55 108.95 2.6 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.782 -1.199 . . . . 0.0 108.605 178.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.0 109.063 -179.921 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 110.865 2.665 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 110.998 2.798 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.461 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 O4'-C1'-N19 110.91 2.71 . 0.282 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.461 " C5'" " O2'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 110.935 2.735 . 0.066 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.443 ' C6 ' ' C5 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 111.317 3.117 . 0.088 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.515 ' N6 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 C3'-C2'-C1' 104.575 3.417 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.504 " O2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C3'-C2'-C1' 104.55 3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.529 ' C5 ' ' C5 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 O4'-C1'-N19 110.979 2.779 . 0.088 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.529 ' C5 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 O4'-C1'-N19 111.165 2.965 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C5'-C4'-C3' 111.655 -2.563 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.137 2.937 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C3'-C2'-C1' 104.217 3.019 . 0.329 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.043 0 C5'-C4'-C3' 111.638 -2.575 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.476 ' N2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 O4'-C1'-N19 110.87 2.67 . 0.718 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.476 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.11 0 O4'-C1'-N19 111.183 2.983 . 0.654 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.529 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.144 2.944 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.529 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 O4'-C1'-N19 111.129 2.929 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.169 0 O4'-C1'-N19 111.109 2.909 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.432 ' N1 ' ' HD3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.943 0 O4'-C1'-N19 110.917 2.717 . 0.572 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.652 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.43 -1.955 0 O4'-C1'-N19 111.13 2.93 . 0.337 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.025 0 C5'-C4'-C3' 111.555 -2.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 110.86 2.66 . 0.258 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.879 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.544 ' C8 ' ' CZ ' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.612 1.902 0 O4'-C1'-N19 111.051 2.851 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.542 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 110.872 2.672 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.036 0 O4'-C1'-N19 111.407 3.207 . 0.479 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.216 3.016 . 0.063 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.071 2.871 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.072 2.872 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 110.817 2.617 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t 58.56 83.1 0.22 Allowed Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 120.968 -1.083 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.21 122.49 5.71 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.849 1.699 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.59 -38.56 66.88 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.996 -1.065 . . . . 0.0 109.941 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -144.16 -67.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.855 -1.153 . . . . 0.0 109.624 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 87.82 0.13 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.085 -1.01 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 Cg_endo -77.4 133.94 13.6 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.731 1.621 . . . . 0.0 110.144 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.88 40.4 3.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.077 -1.015 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CD2' HG21 ' A' ' 93' ' ' ILE . 1.7 t60 58.97 23.09 11.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 111.148 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.458 HG21 ' H61' ' B' ' 44' ' ' ' A' . 55.1 m -169.41 143.14 2.79 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.51 -1.369 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.512 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.4 pt -108.93 164.56 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.915 -1.116 . . . . 0.0 108.915 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.28 129.7 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.76 138.5 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.023 -1.048 . . . . 0.0 109.281 179.751 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.11 -172.44 2.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 109.444 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 61.99 43.79 8.75 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.909 -1.119 . . . . 0.0 109.552 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 53' ' ' GLN . 9.4 mp -93.72 -179.33 4.97 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.007 -1.058 . . . . 0.0 109.324 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -89.36 149.12 23.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 109.029 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.0 44.04 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.0 109.802 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -141.71 30.27 1.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.997 -1.064 . . . . 0.0 110.161 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 24' ' ' GLU . 1.1 mp -120.09 155.14 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.861 -1.149 . . . . 0.0 108.885 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.88 -171.8 3.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.209 -0.932 . . . . 0.0 109.658 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -37.07 27.89 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.139 -0.976 . . . . 0.0 109.817 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.11 -29.3 69.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.093 -1.004 . . . . 0.0 108.78 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.756 ' HB2' HG22 ' A' ' 20' ' ' ILE . 26.9 mt-10 -73.56 -54.81 7.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 109.414 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.892 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -55.4 -25.05 33.48 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.114 . . . . 0.0 111.352 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -82.39 -34.65 28.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.444 -1.41 . . . . 0.0 110.256 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -72.03 -22.72 61.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.722 -1.236 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -43.56 10.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.54 -1.35 . . . . 0.0 110.283 -179.57 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.892 HD11 HD12 ' A' ' 25' ' ' LEU . 19.8 mt -72.55 -57.18 4.35 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.024 -1.048 . . . . 0.0 109.648 -179.397 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.579 ' HA ' HD11 ' A' ' 42' ' ' ILE . 17.0 t-80 -50.51 -29.28 10.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.204 -0.935 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.73 -69.7 0.53 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.689 -1.257 . . . . 0.0 110.207 -179.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.63 -60.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 112.255 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 56' ' ' VAL . 55.6 m-85 -60.55 -37.56 81.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.685 -1.26 . . . . 0.0 110.732 -178.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.56 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.0 t -54.39 -35.62 63.05 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.67 -1.269 . . . . 0.0 110.478 -179.292 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -49.61 -47.73 49.47 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.783 -1.198 . . . . 0.0 110.253 -179.523 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' A' ' 66' ' ' ASN . 97.0 m-85 -61.63 -56.69 17.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.989 -1.069 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.55 -164.04 11.88 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.84 150.48 25.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.24 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.56 HD11 ' N ' ' A' ' 34' ' ' SER . 45.4 mt -110.91 116.96 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -57.8 -45.21 86.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.991 -1.068 . . . . 0.0 109.526 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -179.16 151.24 0.49 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.021 -1.05 . . . . 0.0 110.502 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.2 mt -115.5 139.1 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.996 -1.065 . . . . 0.0 109.195 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -110.4 133.79 52.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.082 -1.011 . . . . 0.0 109.999 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.97 122.16 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.136 -0.977 . . . . 0.0 108.913 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' ' N6 ' ' B' ' 24' ' ' ' A' . 67.1 m -106.68 168.24 9.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.029 -1.044 . . . . 0.0 109.796 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 38.19 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.025 -1.047 . . . . 0.0 109.824 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.9 p -92.59 -173.36 3.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.014 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD21 " O2'" ' B' ' 40' ' ' ' U' . 1.7 tt -74.59 -51.27 15.02 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.966 -1.083 . . . . 0.0 109.545 -179.715 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -58.8 -40.81 85.14 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.049 -1.032 . . . . 0.0 109.352 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 ttm -101.37 51.5 0.84 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.988 -1.07 . . . . 0.0 109.413 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HD3' ' N1 ' ' B' ' 39' ' ' ' A' . 0.1 OUTLIER -99.44 50.55 0.94 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.99 -1.069 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.08 57.69 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.1 pt20 -178.29 152.92 0.72 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.123 -1.222 . . . . 0.0 110.105 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.33 150.91 33.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.938 -1.101 . . . . 0.0 109.959 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CZ ' ' C8 ' ' B' ' 44' ' ' ' A' . 67.6 m-85 -104.11 148.2 26.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.013 -1.055 . . . . 0.0 109.164 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 33' ' ' PHE . 47.1 t -124.78 125.1 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.904 -1.123 . . . . 0.0 109.15 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 92' ' ' ILE . 42.0 mt -98.14 119.94 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.034 -1.041 . . . . 0.0 109.123 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.44 146.82 24.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.99 -1.069 . . . . 0.0 108.824 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -51.02 -38.8 53.59 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.949 -1.094 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -129.13 169.13 15.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.057 -1.027 . . . . 0.0 109.169 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.62 -33.99 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.105 -0.997 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -59.09 -36.21 74.73 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.865 -1.147 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 4.2 m -61.23 -36.46 80.02 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.843 -1.161 . . . . 0.0 110.415 -179.396 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.81 -26.74 59.94 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.752 -1.218 . . . . 0.0 109.804 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.469 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 3.2 m -66.99 -40.52 87.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.799 -1.188 . . . . 0.0 109.493 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' OG ' ' A' ' 70' ' ' SER . 3.0 t30 -72.04 -37.0 69.8 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.011 -1.055 . . . . 0.0 109.76 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.28 64.99 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.895 -1.128 . . . . 0.0 110.623 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 83' ' ' ILE . 2.6 tp -81.89 -56.62 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.534 -1.354 . . . . 0.0 110.206 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -65.21 -17.67 64.67 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.07 -1.019 . . . . 0.0 111.469 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 66' ' ' ASN . 16.7 p -90.02 -38.28 13.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.491 -1.381 . . . . 0.0 110.05 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtp -104.88 37.34 2.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.873 -1.142 . . . . 0.0 109.745 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.62 96.3 0.93 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.946 -1.096 . . . . 0.0 109.0 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.47 75.49 0.78 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.92 165.75 16.96 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.025 -1.279 . . . . 0.0 109.751 -179.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.01 114.3 3.36 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 122.063 1.842 . . . . 0.0 110.539 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -145.93 131.17 18.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.013 -1.054 . . . . 0.0 109.076 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HE2' HG21 ' A' ' 20' ' ' ILE . 7.9 m-85 60.6 39.02 18.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 0.0 109.88 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.01 62.25 2.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.944 -1.098 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 176.43 150.01 0.32 Allowed Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 120.788 -1.195 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.6 123.39 6.42 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.551 1.5 . . . . 0.0 109.827 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.84 118.1 23.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.4 -179.416 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -91.42 140.86 29.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.005 . . . . 0.0 108.323 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 68' ' ' LEU . 62.6 mt -98.88 136.55 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.986 -1.072 . . . . 0.0 110.377 -179.315 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 134.13 47.43 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.549 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -50.87 173.34 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.901 -1.124 . . . . 0.0 109.773 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.15 162.35 13.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.974 -1.079 . . . . 0.0 109.95 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.13 -46.6 16.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.083 -1.011 . . . . 0.0 109.225 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.2 p -106.86 179.97 4.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.186 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.446 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.1 m-20 -99.5 179.56 4.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.005 -1.059 . . . . 0.0 109.808 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 t -80.53 147.3 30.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.194 -0.941 . . . . 0.0 109.277 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.93 -23.93 60.75 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.138 -0.976 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 57' ' ' ILE . 33.1 pt -69.12 -40.62 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.564 -1.335 . . . . 0.0 110.003 -179.375 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.548 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -87.72 1.18 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 O-C-N 120.765 -1.209 . . . . 0.0 109.807 178.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 93' ' ' ILE . . . -67.67 -35.41 78.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.457 -1.402 . . . . 0.0 109.169 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HA ' ' CA ' ' A' ' 99' ' ' THR . 41.9 mttt -69.69 -13.73 62.45 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.87 -1.144 . . . . 0.0 111.51 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.462 ' HG2' ' HA ' ' A' ' 93' ' ' ILE . 21.6 mmt -66.33 -47.4 73.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.884 -1.135 . . . . 0.0 108.248 179.257 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -53.17 -30.89 39.81 Favored 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.635 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.85 -39.97 0.32 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.412 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.402 ' CA ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 t 178.1 -43.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.984 -1.303 . . . . 0.0 110.528 178.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -142.85 135.77 28.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.823 -1.173 . . . . 0.0 109.499 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.489 1.521 0 O-C-N 120.956 -1.09 . . . . 0.0 109.134 -179.934 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.011 2.811 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.433 ' C6 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.971 0 O4'-C1'-N19 111.064 2.864 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . 0.433 ' C4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 110.779 2.579 . 0.159 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 110.907 2.707 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.487 HO2' ' P ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.435 1.749 0 O4'-C1'-N19 110.912 2.712 OUTLIER-EPSILON 0.477 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.487 ' P ' HO2' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 C3'-C2'-C1' 103.911 2.679 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.492 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 C3'-C2'-C1' 104.419 3.243 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.492 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.051 0 O4'-C1'-N19 111.576 3.376 . 0.092 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.026 2.826 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.184 0 O4'-C1'-N19 111.578 3.378 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 111.021 2.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C3'-C2'-C1' 104.174 2.971 . 0.344 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.435 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 C5'-C4'-C3' 111.581 -2.613 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 O4'-C1'-N19 110.882 2.682 . 0.913 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.951 2.751 . 0.576 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 O4'-C1'-N19 111.159 2.959 . 0.156 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.009 0 O4'-C1'-N19 111.166 2.966 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.106 2.906 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.468 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.901 0 O4'-C1'-N19 111.003 2.803 . 0.352 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.468 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 O4'-C1'-N19 111.232 3.032 . 0.425 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.784 0 O4'-C1'-N19 110.956 2.756 . 0.251 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.44 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.01 0 O4'-C1'-N19 111.083 2.883 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.436 " O2'" ' HD2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.432 -1.746 0 O4'-C1'-N19 110.909 2.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.545 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.816 0 O4'-C1'-N19 110.903 2.703 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.545 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-C3' 111.621 -2.586 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 111.473 3.273 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.225 3.025 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.17 0 O4'-C1'-N19 110.995 2.795 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.618 -2.588 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.6 t 58.39 79.32 0.32 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.053 -1.029 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.22 95.59 1.07 Allowed 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.886 1.724 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.42 41.9 1.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.093 -1.004 . . . . 0.0 110.208 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -169.49 -52.57 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.905 -1.122 . . . . 0.0 110.351 -179.703 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.6 mtt-85 64.46 150.18 0.11 Allowed Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.062 -1.024 . . . . 0.0 109.057 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.94 92.4 1.13 Allowed 'Trans proline' 0 C--N 1.321 -0.874 0 C-N-CA 121.669 1.579 . . . . 0.0 110.526 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -91.45 -178.35 5.08 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.34 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HA ' HG23 ' A' ' 61' ' ' VAL . 2.2 t-160 -112.44 38.63 2.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 110.255 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.529 HG21 ' H61' ' B' ' 44' ' ' ' A' . 34.8 m -167.23 105.75 0.56 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.878 -1.139 . . . . 0.0 110.287 179.248 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.4 pp -67.4 168.87 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.01 -1.056 . . . . 0.0 108.821 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 52.4 t80 -157.44 142.14 16.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.777 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -130.66 134.99 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.165 -0.959 . . . . 0.0 108.711 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.438 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 10.6 p-10 -126.4 41.83 3.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.961 -1.087 . . . . 0.0 109.669 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -144.86 43.29 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.099 -1.0 . . . . 0.0 109.329 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.6 mp -92.82 178.83 5.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.39 156.38 29.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.102 -0.999 . . . . 0.0 109.117 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.78 38.83 1.46 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 109.96 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.58 36.42 0.57 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.866 -1.146 . . . . 0.0 110.06 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.901 HD12 ' CD2' ' A' ' 77' ' ' TYR . 9.1 mm -96.15 151.68 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.917 -1.115 . . . . 0.0 109.644 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 177.55 8.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.564 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' NZ ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.2 tptt -79.15 -40.74 30.16 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.913 -1.117 . . . . 0.0 109.102 179.566 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.44 -14.32 60.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.175 -0.953 . . . . 0.0 109.429 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.644 ' HB2' HG22 ' A' ' 20' ' ' ILE . 29.7 mt-10 -83.08 -41.98 17.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.609 -1.307 . . . . 0.0 110.027 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 29' ' ' LEU . 10.1 mt -70.15 -35.64 74.18 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.141 -179.622 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -77.29 -30.1 54.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.857 -1.152 . . . . 0.0 110.509 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.4 -24.62 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.691 -1.256 . . . . 0.0 110.628 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 23.2 t -87.62 -36.35 17.54 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.515 -1.365 . . . . 0.0 110.471 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.8 mt -72.2 -43.51 64.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.822 -1.174 . . . . 0.0 109.432 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -66.03 -25.81 67.23 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.137 -0.977 . . . . 0.0 110.418 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -77.7 -68.33 0.64 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.598 -1.314 . . . . 0.0 110.042 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -52.08 -56.26 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 111.225 -178.818 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 40.3 m-85 -58.19 -43.42 87.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.816 -1.177 . . . . 0.0 110.812 -178.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.7 p -53.91 -35.89 62.13 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.869 -1.145 . . . . 0.0 110.586 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -54.75 -47.42 73.87 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.704 -1.248 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CE1' ' CB ' ' A' ' 70' ' ' SER . 92.4 m-85 -58.88 -58.52 8.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.074 -1.016 . . . . 0.0 109.553 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.95 -157.43 7.71 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -92.95 133.89 35.66 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.106 -1.232 . . . . 0.0 109.336 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 34' ' ' SER . 54.7 mt -94.52 138.35 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.037 -1.039 . . . . 0.0 109.412 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 ' CB ' ' A' ' 59' ' ' LYS . 2.7 tp -87.77 -41.91 12.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.143 -0.973 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -170.83 147.64 2.77 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.128 -0.982 . . . . 0.0 110.382 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.608 HG12 HG13 ' A' ' 56' ' ' VAL . 74.2 mt -125.02 131.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.114 -0.991 . . . . 0.0 109.223 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.0 mp -105.86 131.62 52.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.919 -1.113 . . . . 0.0 109.877 -179.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.0 123.88 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.165 -0.96 . . . . 0.0 109.279 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.458 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 46.5 t -125.71 160.51 29.56 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.781 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -127.83 36.06 4.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -87.14 174.82 8.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.848 -1.157 . . . . 0.0 109.093 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 3.0 tt -67.58 -40.12 84.83 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.996 -1.065 . . . . 0.0 109.741 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.15 -39.4 71.97 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.033 -1.042 . . . . 0.0 109.797 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.8 mmm -112.1 61.89 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.422 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -110.14 144.95 38.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.936 -1.103 . . . . 0.0 109.479 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.41 38.34 95.58 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -156.91 151.09 25.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.003 -1.292 . . . . 0.0 109.799 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.27 152.01 38.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 34.4 m-85 -111.52 143.04 43.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.12 -0.987 . . . . 0.0 109.191 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 HG12 ' A' ' 42' ' ' ILE . 10.3 t -132.0 127.84 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.895 -1.128 . . . . 0.0 108.867 179.176 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' SER . 39.6 mt -114.99 157.61 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.145 -0.972 . . . . 0.0 108.764 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -130.9 149.67 52.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.005 -1.06 . . . . 0.0 109.219 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.53 ' CB ' HD13 ' A' ' 40' ' ' LEU . 8.5 tttp -49.45 -61.79 1.9 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 120.948 -1.095 . . . . 0.0 108.756 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.41 158.74 15.3 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 177.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 9' ' ' HIS . 4.6 p -90.27 19.69 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.782 -1.199 . . . . 0.0 112.539 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.38 -38.36 11.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.478 -1.389 . . . . 0.0 109.261 178.764 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -62.55 -32.94 73.98 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.902 -1.123 . . . . 0.0 110.176 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -69.34 -32.79 72.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.763 -1.211 . . . . 0.0 108.654 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.471 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 27.4 m -64.91 -39.87 94.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.019 . . . . 0.0 109.713 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -67.83 -34.3 76.47 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.965 -1.084 . . . . 0.0 110.127 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.775 -1.203 . . . . 0.0 110.824 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -53.82 8.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.694 -1.254 . . . . 0.0 110.175 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -5.18 48.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.978 -1.076 . . . . 0.0 111.868 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.413 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 44.1 m -94.43 -39.98 10.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.289 -1.507 . . . . 0.0 109.852 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 20.7 mmm -109.48 38.8 2.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.957 -1.089 . . . . 0.0 109.757 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.77 103.18 0.19 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.159 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.35 64.6 2.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 4.6 m-85 -120.6 161.03 41.7 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.067 -1.255 . . . . 0.0 109.596 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.12 135.84 14.08 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.825 1.683 . . . . 0.0 110.791 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 6.7 t80 -122.51 -59.4 1.63 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 108.648 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.901 ' CD2' HD12 ' A' ' 20' ' ' ILE . 6.6 m-85 -125.38 67.94 1.14 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.086 -1.009 . . . . 0.0 108.834 179.071 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.74 42.4 8.13 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 109.564 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 150.4 1.39 Allowed Pre-proline 0 N--CA 1.499 2.022 0 O-C-N 121.016 -1.052 . . . . 0.0 110.067 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.32 147.66 23.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.813 1.675 . . . . 0.0 110.341 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.39 138.0 20.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.014 -1.053 . . . . 0.0 109.966 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 148.84 23.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.047 -1.033 . . . . 0.0 109.168 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -110.26 138.58 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.118 -0.989 . . . . 0.0 110.113 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -143.42 139.11 29.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -0.954 . . . . 0.0 108.747 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.471 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 12.7 m-85 -50.94 175.3 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.917 -1.114 . . . . 0.0 109.843 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -95.01 162.29 13.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.016 -1.053 . . . . 0.0 109.389 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' HD2' " O2'" ' B' ' 43' ' ' ' C' . 50.1 mttm -63.27 -50.15 71.28 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 109.418 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.7 p -113.42 179.53 3.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 0.0 109.419 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 4.1 m-20 -86.07 -178.43 6.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.027 -1.046 . . . . 0.0 109.279 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.599 ' HB2' HD13 ' A' ' 57' ' ' ILE . 15.6 p -95.79 158.37 15.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.094 -1.004 . . . . 0.0 109.783 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.38 19.86 10.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.854 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 93' ' ' ILE . 34.7 pt -101.34 -36.72 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.479 -1.388 . . . . 0.0 110.465 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -91.68 3.07 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 O-C-N 120.555 -1.341 . . . . 0.0 109.145 178.517 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 93' ' ' ILE . . . -69.01 -33.81 74.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.486 -1.383 . . . . 0.0 108.962 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -69.21 -11.68 61.01 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.842 -1.161 . . . . 0.0 111.714 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 null -94.66 -41.04 9.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.734 -1.229 . . . . 0.0 109.52 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -51.81 -35.88 45.82 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.937 -1.102 . . . . 0.0 108.214 178.124 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' C ' HG22 ' A' ' 99' ' ' THR . . . 162.13 57.83 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.19 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.401 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.3 t 37.96 65.62 0.56 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.812 -0.817 . . . . 0.0 111.262 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.415 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 2.8 m-85 -56.39 -39.51 73.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.987 -1.071 . . . . 0.0 109.502 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.501 2.095 0 O-C-N 121.024 -1.048 . . . . 0.0 110.386 -179.843 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.413 ' C6 ' ' N3 ' ' B' ' 50' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.974 0 O4'-C1'-N19 110.913 2.713 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.074 2.874 . 0.095 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.864 2.664 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 O4'-C1'-N19 110.904 2.704 . 0.145 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.488 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.854 0 O4'-C1'-N19 111.239 3.039 . 0.377 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.488 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C3'-C2'-C1' 104.524 3.359 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.543 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 O4'-C1'-N19 111.483 3.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.543 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.552 ' H42' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 110.887 2.687 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.433 ' C4 ' ' O4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.232 0 O4'-C1'-N19 111.186 2.986 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.433 ' O4 ' ' C4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.291 0 O4'-C1'-N19 111.627 3.427 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . 0.548 " O2'" ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.203 0 C3'-C2'-C1' 104.249 3.055 . 0.711 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.573 ' C2 ' ' C5 ' ' B' ' 34' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.396 -4.743 0 C5'-C4'-C3' 111.571 -2.619 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 028 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.573 ' C5 ' ' C2 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.995 3.795 . 0.151 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.155 0 O4'-C1'-N19 111.233 3.033 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.415 ' N1 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.207 3.007 . 0.441 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.552 ' N6 ' ' H42' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.978 0 O4'-C1'-N19 111.06 2.86 . 0.239 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.13 2.93 . 0.405 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.807 0 O4'-C1'-N19 110.864 2.664 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.234 3.034 . 0.3 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.838 0 O4'-C1'-N19 110.949 2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C5'-C4'-C3' 111.465 -2.69 . 0.078 4g . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.435 ' C4 ' ' HE2' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.61 1.719 0 O4'-C1'-N19 111.011 2.811 . 0.01 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.54 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.052 2.852 . 0.381 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.528 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C5'-C4'-C3' 111.554 -2.63 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.055 0 O4'-C1'-N19 111.542 3.342 . 0.156 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.316 3.116 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.535 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 O4'-C1'-N19 111.1 2.9 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 111.096 2.896 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . 0.413 ' N3 ' ' C6 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 110.88 2.68 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.6 156.3 79.94 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.98 86.54 1.64 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.885 1.723 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.01 176.52 1.22 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.108 -0.995 . . . . 0.0 109.429 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -100.47 151.21 21.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.109 -0.995 . . . . 0.0 109.334 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -97.43 144.22 27.54 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.022 -1.049 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.96 110.7 2.82 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.755 1.636 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.0 m120 -123.15 173.43 7.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.488 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' N ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -83.85 -41.84 17.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.108 -0.995 . . . . 0.0 109.079 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -96.54 148.92 22.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.144 -0.972 . . . . 0.0 109.271 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 85' ' ' TYR . 4.1 pt -116.26 145.77 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.994 -1.066 . . . . 0.0 109.222 179.347 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 67.4 t80 -113.0 119.09 36.72 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.409 -0.807 . . . . 0.0 109.262 -179.446 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -98.8 147.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.048 -1.033 . . . . 0.0 109.046 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -139.35 -179.97 6.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.006 -1.059 . . . . 0.0 109.648 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 59.19 41.47 20.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.983 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.473 HD21 ' SD ' ' A' ' 81' ' ' MET . 3.0 mt -95.41 179.59 5.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.067 -1.021 . . . . 0.0 109.473 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' HD11 ' A' ' 20' ' ' ILE . 8.1 t-20 -72.03 151.45 43.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.031 -1.043 . . . . 0.0 109.052 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.01 34.7 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.148 -0.97 . . . . 0.0 110.374 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -148.0 33.27 0.83 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.779 -1.201 . . . . 0.0 110.281 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.874 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.9 mm -99.24 154.13 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.846 -1.159 . . . . 0.0 109.91 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -85.47 -177.61 6.49 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -86.62 -40.09 15.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.889 -1.132 . . . . 0.0 109.133 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.12 -29.6 57.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 108.456 178.236 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.5 tt0 -70.21 -46.44 64.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.877 -1.139 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.5 -31.61 71.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.908 -1.12 . . . . 0.0 110.455 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -73.82 -24.43 59.8 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.219 . . . . 0.0 110.597 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -78.73 -36.88 42.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 85.1 p -69.83 -38.56 76.58 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.881 -1.137 . . . . 0.0 109.972 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 42' ' ' ILE . 6.9 mt -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.86 -1.15 . . . . 0.0 110.067 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -68.32 -18.48 64.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.865 -1.147 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.71 -51.94 4.86 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.434 -1.416 . . . . 0.0 110.147 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.94 -55.24 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.98 -1.075 . . . . 0.0 110.731 -179.078 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 64.2 m-85 -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.899 -1.126 . . . . 0.0 110.703 -178.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.9 t -61.64 -33.51 74.06 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.84 -1.163 . . . . 0.0 110.367 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -49.7 -38.3 32.55 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.639 -1.288 . . . . 0.0 110.262 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HD1' HD21 ' A' ' 66' ' ' ASN . 80.8 m-85 -74.92 -52.21 11.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.927 -1.108 . . . . 0.0 109.383 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 -163.88 11.21 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -89.34 146.43 24.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.994 -1.298 . . . . 0.0 109.38 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 34' ' ' SER . 65.4 mt -108.99 117.15 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.011 -1.056 . . . . 0.0 109.564 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 92' ' ' ILE . 95.9 mt -60.9 -40.31 92.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.631 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.83 146.04 0.24 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.976 -1.078 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 29' ' ' LEU . 26.4 mt -110.91 125.86 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.034 -1.041 . . . . 0.0 109.473 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.55 131.05 45.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.02 -1.05 . . . . 0.0 109.6 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.77 131.69 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.035 . . . . 0.0 109.327 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.441 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 29.4 t -110.06 146.99 34.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.91 -1.119 . . . . 0.0 109.619 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.74 38.31 4.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 109.85 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -107.22 163.2 13.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.946 -1.096 . . . . 0.0 109.283 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 2.0 tt -58.83 -41.98 88.19 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.994 -1.066 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.43 -40.77 95.64 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.052 -1.03 . . . . 0.0 109.549 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HB2' ' OG ' ' A' ' 45' ' ' SER . 87.2 mmm -109.67 60.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.387 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.44 143.4 35.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.23 38.84 88.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' OE1' ' CE2' ' A' ' 55' ' ' PHE . 4.9 pp0? -155.07 164.51 38.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.988 -1.301 . . . . 0.0 109.921 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.11 11.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.953 -1.092 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 74.4 m-85 -138.84 135.9 35.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.051 -1.031 . . . . 0.0 109.096 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -126.62 126.17 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.888 -1.133 . . . . 0.0 109.991 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HD11 ' A' ' 92' ' ' ILE . 40.3 mt -99.43 118.22 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.077 -1.014 . . . . 0.0 108.942 179.426 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m-85 -98.28 143.57 28.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.072 -1.018 . . . . 0.0 109.366 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -55.23 -40.81 71.29 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.993 -1.067 . . . . 0.0 109.407 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.19 150.92 44.65 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.158 -0.964 . . . . 0.0 109.319 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 10.1 p -62.16 -32.27 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.997 -1.064 . . . . 0.0 109.995 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.8 m -62.98 -35.19 79.35 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.784 -1.197 . . . . 0.0 109.913 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.4 m -58.73 -33.73 70.56 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.774 -1.204 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.21 -29.24 48.23 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.709 -1.245 . . . . 0.0 109.747 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 32.5 m -63.86 -39.66 94.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.866 -1.146 . . . . 0.0 109.859 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.436 HD21 ' HD1' ' A' ' 36' ' ' PHE . 2.3 t30 -76.8 -39.22 52.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.964 -1.085 . . . . 0.0 109.761 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.63 -16.77 64.33 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.926 -1.109 . . . . 0.0 110.975 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -37.03 12.23 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.484 -1.385 . . . . 0.0 110.186 -179.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -68.67 -35.63 77.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.831 -1.168 . . . . 0.0 110.205 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 t -85.39 -27.58 25.72 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.9 -1.125 . . . . 0.0 110.852 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mtp -101.81 35.61 2.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.59 -1.319 . . . . 0.0 110.07 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -76.82 92.7 3.63 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.937 -1.102 . . . . 0.0 108.999 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 73.11 1.21 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -119.33 161.01 39.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.278 . . . . 0.0 109.625 -179.737 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.8 Cg_endo -78.24 134.3 12.72 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.977 1.784 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -147.03 119.22 8.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.3 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.874 ' CD2' HD12 ' A' ' 20' ' ' ILE . 67.0 m-85 71.08 -84.08 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 O-C-N 122.163 -0.336 . . . . 0.0 110.675 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.52 44.37 0.53 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.507 -1.371 . . . . 0.0 110.459 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.64 152.16 0.56 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 120.902 -1.123 . . . . 0.0 110.151 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -76.94 147.17 26.67 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.792 1.661 . . . . 0.0 110.045 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -148.24 129.36 14.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.282 -179.652 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.24 139.04 31.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.0 108.488 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.61 136.85 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.042 . . . . 0.0 110.255 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 135.67 53.93 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -50.61 157.6 0.74 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.865 -1.147 . . . . 0.0 109.721 -179.433 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 162.46 28.07 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 0.0 109.534 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HE2' ' C4 ' ' B' ' 43' ' ' ' C' . 32.1 mttm -77.24 -41.52 40.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.035 -1.04 . . . . 0.0 109.419 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -119.43 177.88 4.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.021 -1.05 . . . . 0.0 109.888 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -88.21 -174.81 4.8 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.139 -0.976 . . . . 0.0 109.471 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.426 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.2 OUTLIER -89.72 154.24 20.09 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.997 -1.065 . . . . 0.0 109.383 179.916 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -33.12 58.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 109.766 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 93' ' ' ILE . 1.2 pp -56.46 -26.11 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.859 -1.15 . . . . 0.0 109.512 178.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -69.09 -45.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.43 -1.419 . . . . 0.0 107.21 177.888 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.608 ' HB1' ' CD2' ' A' ' 100' ' ' PHE . . . -50.55 -31.16 14.85 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.279 -0.888 . . . . 0.0 110.628 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -70.65 -41.98 71.43 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.674 -1.266 . . . . 0.0 110.635 -179.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.407 -0.808 . . . . 0.0 110.869 -179.481 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -50.76 -38.76 49.74 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.43 -57.04 0.05 OUTLIER Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 177.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 101' ' ' VAL . 1.4 t 173.18 52.99 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.212 -1.17 . . . . 0.0 109.837 178.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' HB1' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -55.21 99.59 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.855 -1.153 . . . . 0.0 109.389 -179.817 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 99' ' ' THR . 99.4 t . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.047 -1.033 . . . . 0.0 109.111 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 110.961 2.761 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.062 0 O4'-C1'-N19 110.943 2.743 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C5'-C4'-C3' 111.602 -2.599 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.528 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 110.846 2.646 . 0.299 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.069 0 O4'-C1'-N19 111.155 2.955 . 0.115 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.52 ' C2 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.457 " C1'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 O4'-C1'-N19 111.283 3.083 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.164 2.964 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C3'-C2'-C1' 103.89 2.655 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.41 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 111.013 2.813 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.442 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 110.906 2.706 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C3'-C2'-C1' 104.177 2.975 . 0.284 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.443 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C5'-C4'-C3' 111.701 -2.533 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.443 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 O4'-C1'-N19 110.87 2.67 . 0.907 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.082 0 O4'-C1'-N19 111.14 2.94 . 0.632 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.41 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.13 2.93 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 O4'-C1'-N19 111.175 2.975 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 110.9 2.7 . 0.345 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.821 0 O4'-C1'-N19 111.092 2.892 . 0.376 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 O4'-C1'-N19 110.888 2.688 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . 0.451 " O4'" ' C4 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.923 0 O4'-C1'-N19 110.752 2.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.451 ' C4 ' " O4'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 O4'-C1'-N19 110.838 2.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 0 O4'-C1'-N19 111.146 2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.549 ' C5 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.438 1.962 0 O4'-C1'-N19 111.062 2.862 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.535 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 110.854 2.654 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.517 3.317 . 0.54 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.528 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.064 2.864 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.185 0 O4'-C1'-N19 111.29 3.09 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 0 O4'-C1'-N19 110.84 2.64 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 38.7 t -73.17 -45.99 8.06 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.13 -0.982 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.1 Cg_endo -78.46 -170.35 0.96 Allowed 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 121.111 1.208 . . . . 0.0 110.381 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.15 -37.74 18.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.994 -1.066 . . . . 0.0 110.488 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 5' ' ' THR . 8.8 m -126.11 38.45 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.871 -1.143 . . . . 0.0 110.184 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' CA ' ' HG2' ' A' ' 3' ' ' PRO . 10.1 mmm180 61.63 149.93 0.09 OUTLIER Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.157 -0.964 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.66 157.33 24.8 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.798 1.666 . . . . 0.0 110.164 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 3.6 m120 -119.85 -74.04 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.545 ' NE2' HG21 ' A' ' 93' ' ' ILE . 2.3 t60 172.41 -46.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.287 -0.883 . . . . 0.0 108.677 -179.472 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.6 m -111.32 158.76 18.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.008 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.527 HD12 HG21 ' A' ' 83' ' ' ILE . 44.8 pt -117.64 159.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 12.3 t80 -139.18 107.12 5.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.908 . . . . 0.0 109.556 -178.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 54' ' ' ALA . 8.8 mt -76.19 150.04 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.032 -1.042 . . . . 0.0 108.727 178.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 19.6 t-20 -140.61 159.32 42.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.96 -1.087 . . . . 0.0 109.509 -179.616 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 68.78 46.46 0.91 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.906 -1.121 . . . . 0.0 109.112 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 53' ' ' GLN . 1.1 mt -92.52 -179.52 5.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.195 -0.941 . . . . 0.0 109.266 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -79.73 149.76 31.05 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.123 -0.986 . . . . 0.0 109.271 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -101.14 34.55 2.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.105 -0.997 . . . . 0.0 110.279 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -138.34 29.34 2.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.735 -1.228 . . . . 0.0 109.933 179.298 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.931 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.3 mm -99.31 152.42 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.879 -1.138 . . . . 0.0 109.883 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -86.99 -176.94 5.92 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.067 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -86.98 -39.94 15.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.846 -1.159 . . . . 0.0 109.188 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.16 -24.32 57.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 108.938 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 10.1 tt0 -78.17 -45.83 22.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.801 -1.187 . . . . 0.0 110.003 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.815 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -68.21 -28.32 67.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.997 -1.065 . . . . 0.0 110.815 -179.511 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -80.1 -30.86 39.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.668 -1.27 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -22.94 49.81 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.627 -1.296 . . . . 0.0 110.424 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 49.5 m -86.24 -39.41 16.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.629 -1.294 . . . . 0.0 109.992 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.49 -42.46 71.33 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.945 -1.097 . . . . 0.0 109.545 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' A' ' 34' ' ' SER . 6.2 t-80 -62.54 -28.69 70.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.176 -0.952 . . . . 0.0 110.466 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.87 -69.73 0.55 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.622 -1.299 . . . . 0.0 109.783 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.415 HD13 ' CE ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -46.51 -59.24 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.073 -1.017 . . . . 0.0 112.051 -178.687 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 14.0 m-85 -61.28 -32.17 72.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.657 -1.277 . . . . 0.0 111.463 -178.669 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 39' ' ' ILE . 31.8 p -66.37 -27.68 68.05 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.717 -1.239 . . . . 0.0 111.8 -178.538 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 1.9 ptm180 -49.47 -31.58 10.28 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.493 -1.38 . . . . 0.0 110.992 -179.079 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' ND2' ' A' ' 66' ' ' ASN . 11.0 m-85 -73.26 -55.56 6.26 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.711 -1.243 . . . . 0.0 109.375 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.84 -141.45 3.23 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -98.5 142.78 29.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.96 -1.318 . . . . 0.0 109.378 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 34' ' ' SER . 59.4 mt -100.76 117.12 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.051 -1.031 . . . . 0.0 109.533 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 92' ' ' ILE . 2.8 mp -52.96 -66.9 0.3 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.96 -1.087 . . . . 0.0 109.674 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -159.51 141.95 13.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.148 -0.97 . . . . 0.0 110.068 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.9 mt -113.18 142.62 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.028 -1.045 . . . . 0.0 109.456 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.32 138.24 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.03 -1.044 . . . . 0.0 109.682 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.7 m -141.64 121.7 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.266 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.52 ' OG ' ' C2 ' ' B' ' 24' ' ' ' A' . 5.8 m -136.2 142.28 44.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.011 -1.055 . . . . 0.0 109.203 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 47' ' ' SER . 25.4 mtt180 -87.35 -76.22 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 6.3 p 48.75 -177.48 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.884 -1.135 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HB2' " C1'" ' B' ' 25' ' ' ' G' . 2.0 tt -84.39 -40.28 18.02 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.409 -1.432 . . . . 0.0 109.963 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -74.75 -37.89 62.38 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.999 -1.063 . . . . 0.0 110.255 -179.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mtp -95.92 52.3 1.31 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.917 -1.114 . . . . 0.0 109.752 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 49.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.958 -1.089 . . . . 0.0 109.435 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.94 57.66 0.01 OUTLIER Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.631 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.9 pt20 -176.59 172.6 2.14 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.152 -1.205 . . . . 0.0 110.36 -179.603 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -158.2 176.2 12.79 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.754 -1.216 . . . . 0.0 110.392 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.549 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 81.5 m-85 -134.68 145.52 48.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.007 -1.058 . . . . 0.0 109.478 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 58' ' ' PHE . 38.7 t -142.53 121.42 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.819 -1.176 . . . . 0.0 109.652 179.353 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' CD1' HD13 ' A' ' 92' ' ' ILE . 51.9 mt -99.76 126.29 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 120.806 -1.184 . . . . 0.0 108.427 179.322 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 56' ' ' VAL . 49.9 m-85 -107.73 152.1 24.8 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.124 -0.985 . . . . 0.0 109.337 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -49.77 110.25 0.37 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.274 -0.891 . . . . 0.0 109.234 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 71.72 -173.16 0.16 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.282 -0.886 . . . . 0.0 109.079 -178.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.428 HG22 ' ND1' ' A' ' 9' ' ' HIS . 11.9 t -94.93 -32.53 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.976 -1.077 . . . . 0.0 110.862 -179.18 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 p -58.88 -38.13 78.13 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.833 -1.167 . . . . 0.0 110.377 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t -59.83 -35.9 75.69 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.847 -1.158 . . . . 0.0 110.43 -179.408 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.92 62.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.757 -1.214 . . . . 0.0 109.499 179.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.456 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 3.6 m -62.57 -40.35 96.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 109.361 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' ND2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -71.03 -39.37 72.37 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 179.781 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.08 -18.91 65.65 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.949 -1.094 . . . . 0.0 110.991 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.39 -55.73 3.76 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.45 -1.406 . . . . 0.0 110.025 -179.429 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -53.85 -36.58 62.73 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.003 -1.061 . . . . 0.0 110.426 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -77.09 -33.87 56.94 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.876 -1.14 . . . . 0.0 110.295 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 32' ' ' ILE . 13.7 mtp -102.3 35.26 2.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.187 . . . . 0.0 110.113 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -73.06 109.84 6.89 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.889 -1.132 . . . . 0.0 108.94 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.83 65.55 3.16 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 -179.652 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -105.22 152.56 39.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.144 -1.209 . . . . 0.0 109.683 -179.614 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 74' ' ' PHE . 36.8 Cg_endo -81.05 105.78 1.69 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 121.895 1.73 . . . . 0.0 110.345 179.84 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -116.12 124.56 50.67 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.005 -1.059 . . . . 0.0 108.562 179.61 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.931 ' CD2' HD12 ' A' ' 20' ' ' ILE . 77.9 m-85 57.15 38.07 28.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.029 . . . . 0.0 109.731 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 61.25 63.47 1.22 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.917 -1.114 . . . . 0.0 110.355 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.86 142.81 1.6 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.797 -1.19 . . . . 0.0 110.0 179.434 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.54 111.43 3.01 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.409 1.406 . . . . 0.0 109.614 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -125.74 139.33 53.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.003 -1.06 . . . . 0.0 110.536 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mtm105 -119.0 147.05 44.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 108.66 179.365 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 11' ' ' ILE . 3.4 mp -107.45 140.76 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.0 -1.062 . . . . 0.0 110.278 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -131.25 134.58 46.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 24.3 m-85 -49.91 122.08 6.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.933 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 166.27 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.187 -0.945 . . . . 0.0 110.449 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.44 -52.91 22.3 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.993 -1.067 . . . . 0.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 p -105.17 179.55 4.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.078 -1.014 . . . . 0.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 25.1 m-20 -86.82 -174.09 4.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.041 -1.037 . . . . 0.0 109.182 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.44 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.5 OUTLIER -91.33 160.04 15.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.354 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -95.94 19.11 12.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CD1' HD23 ' A' ' 40' ' ' LEU . 7.6 pt -97.41 -43.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.464 -1.398 . . . . 0.0 109.293 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.558 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -85.27 -3.7 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 O-C-N 121.03 -1.044 . . . . 0.0 109.75 179.132 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' N ' HD13 ' A' ' 93' ' ' ILE . . . -67.28 -35.62 79.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.324 -1.485 . . . . 0.0 109.522 179.664 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -70.11 -14.11 62.51 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 0.0 111.507 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 93' ' ' ILE . 25.4 mmt -67.62 -46.09 73.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.886 -1.133 . . . . 0.0 107.983 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -53.18 -30.83 39.62 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.57 -40.06 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.654 -1.379 . . . . 0.0 109.654 178.394 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 t 179.72 -43.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.067 -1.255 . . . . 0.0 110.673 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.88 -68.74 0.4 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.751 -1.218 . . . . 0.0 109.384 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.5 2.068 0 O-C-N 120.945 -1.097 . . . . 0.0 110.152 -179.847 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 O4'-C1'-N19 110.919 2.719 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 O4'-C1'-N19 111.098 2.898 . 0.097 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 110.943 2.743 . 0.134 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.444 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 110.967 2.767 . 0.149 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.444 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.994 0 O4'-C1'-N19 111.253 3.053 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.446 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 110.828 2.628 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.538 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 C3'-C2'-C1' 104.374 3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.538 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.583 3.383 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 110.924 2.724 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.481 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 110.902 2.702 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.481 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.085 2.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C3'-C2'-C1' 104.156 2.951 . 0.358 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.441 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.966 0 C5'-C4'-C3' 111.701 -2.533 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.434 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 110.836 2.636 . 0.9 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.043 0 O4'-C1'-N19 111.001 2.801 . 0.598 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.166 2.966 . 0.156 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.176 2.976 . 0.243 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.191 2.991 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 110.91 2.71 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.022 0 O4'-C1'-N19 111.364 3.164 . 0.355 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.486 -2.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.436 ' N1 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.081 0 C5'-C4'-C3' 111.529 -2.647 . 0.637 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.541 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.432 -1.72 0 O4'-C1'-N19 110.814 2.614 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.51 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.849 0 O4'-C1'-N19 110.848 2.648 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.51 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.11 2.91 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 O4'-C1'-N19 111.147 2.947 . 0.42 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 O4'-C1'-N19 111.354 3.154 . 0.038 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.075 2.875 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.325 3.125 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 C5'-C4'-C3' 111.682 -2.546 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 2' ' ' VAL . 20.9 m -128.54 71.06 80.43 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.45 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.2 117.37 4.1 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.906 1.737 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.73 -178.42 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.136 -0.978 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.9 100.83 5.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.246 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -74.47 152.19 87.59 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.054 -1.029 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.2 Cg_endo -78.36 144.43 20.44 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.761 1.641 . . . . 0.0 110.482 -179.79 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -118.31 -65.84 1.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.49 -43.85 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.0 m -113.6 116.98 30.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.38 -0.825 . . . . 0.0 109.424 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.929 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.2 pp -71.75 177.1 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 47.2 t80 -146.79 154.39 41.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.055 -1.028 . . . . 0.0 109.357 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 16' ' ' LEU . 2.7 mp -137.09 138.22 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.181 -0.95 . . . . 0.0 109.152 179.76 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.86 -175.88 4.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 109.485 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 61.38 40.87 13.63 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 109.501 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 HG22 ' A' ' 13' ' ' ILE . 2.9 mp -92.75 178.03 5.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 109.332 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.72 ' OD1' HD11 ' A' ' 20' ' ' ILE . 50.3 p-10 -85.39 155.05 21.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.977 -1.077 . . . . 0.0 109.428 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -94.06 58.41 2.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 109.545 -179.842 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -150.89 36.32 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.967 -1.083 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.762 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.1 mm -93.37 155.62 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.961 -1.087 . . . . 0.0 109.625 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -105.78 27.87 8.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.18 -0.95 . . . . 0.0 111.202 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 72.69 -80.47 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 121.467 -0.771 . . . . 0.0 111.603 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.61 -26.71 63.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.391 -1.443 . . . . 0.0 108.673 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 19.4 tt0 -64.96 -42.85 94.23 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.968 -1.083 . . . . 0.0 109.838 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.1 tp -67.49 -28.75 68.11 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.837 -1.164 . . . . 0.0 111.152 -179.478 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -79.02 -23.5 44.29 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.67 -1.269 . . . . 0.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.4 -31.49 33.2 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.544 -1.348 . . . . 0.0 109.917 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.3 m -79.18 -38.84 34.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.771 -1.206 . . . . 0.0 110.087 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.69 -51.68 18.34 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.91 -1.119 . . . . 0.0 109.502 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CA ' HD11 ' A' ' 42' ' ' ILE . 5.5 t-80 -54.42 -27.65 38.46 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.133 -0.98 . . . . 0.0 110.682 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.56 -70.38 0.53 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.66 -1.275 . . . . 0.0 110.278 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -58.39 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.955 -1.091 . . . . 0.0 112.567 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 26.4 m-85 -58.87 -36.02 73.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.746 -1.221 . . . . 0.0 111.253 -178.437 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.417 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.8 t -61.59 -34.53 75.77 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.767 -1.208 . . . . 0.0 110.551 -179.199 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -45.64 -32.38 2.35 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.917 -1.114 . . . . 0.0 111.881 -178.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 m-85 -96.34 -39.62 9.53 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.749 -1.219 . . . . 0.0 110.784 -178.289 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -145.99 -172.57 16.46 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.424 -1.37 . . . . 0.0 110.04 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -92.22 140.7 29.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.127 -1.22 . . . . 0.0 109.203 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 34' ' ' SER . 48.6 mt -104.24 134.79 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.004 -1.06 . . . . 0.0 109.295 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.67 -40.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.979 -1.075 . . . . 0.0 109.608 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.85 156.65 1.1 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.105 -0.997 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.7 mt -122.86 141.73 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 109.192 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.9 130.27 55.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.998 -1.064 . . . . 0.0 109.83 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.66 121.4 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.446 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.0 OUTLIER -111.27 -178.6 3.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.981 -1.074 . . . . 0.0 109.652 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -142.82 36.17 1.42 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 0.0 110.14 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 p -95.31 177.04 5.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.84 -1.163 . . . . 0.0 108.954 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 4.1 tt -60.41 -40.84 92.43 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.923 -1.11 . . . . 0.0 110.124 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -74.52 -38.91 62.68 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.927 -1.108 . . . . 0.0 109.863 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 58.48 2.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' O ' ' N1 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -110.28 120.09 41.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.987 -1.071 . . . . 0.0 109.391 -179.851 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.91 44.04 47.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -162.03 141.01 9.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.265 . . . . 0.0 110.071 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.87 -175.75 4.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.934 -1.104 . . . . 0.0 110.063 -179.755 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 36.7 m-85 -140.27 152.47 45.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.963 -1.086 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.691 ' O ' HG23 ' A' ' 10' ' ' THR . 16.1 t -134.84 133.34 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.999 -1.063 . . . . 0.0 109.197 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 92' ' ' ILE . 17.0 mt -105.92 143.84 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.028 -1.045 . . . . 0.0 109.117 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.901 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 92.5 m-85 -127.56 140.94 51.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.991 -1.068 . . . . 0.0 109.814 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.49 112.2 0.95 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.11 -0.993 . . . . 0.0 110.036 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.72 144.04 0.05 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.221 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.6 p -68.69 97.78 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 108.836 179.619 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 -50.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -60.77 -37.56 82.29 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.167 -0.958 . . . . 0.0 108.762 179.002 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.929 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.97 -29.5 63.11 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.868 -1.145 . . . . 0.0 109.291 178.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.8 m -58.53 -42.54 88.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.968 -1.083 . . . . 0.0 109.69 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.5 -41.87 62.53 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.057 -1.027 . . . . 0.0 109.718 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.16 -27.09 43.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.52 -53.45 4.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.57 -1.331 . . . . 0.0 110.261 -179.082 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -49.68 -30.24 8.8 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.907 -1.121 . . . . 0.0 111.266 -179.3 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -30.51 14.97 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.772 -1.205 . . . . 0.0 110.943 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 mtp -100.89 33.7 2.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.675 -1.265 . . . . 0.0 110.463 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.58 97.68 0.62 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.846 -1.159 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.03 73.64 0.9 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.45 170.36 6.24 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.27 . . . . 0.0 109.818 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.51 146.0 21.31 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 121.935 1.757 . . . . 0.0 110.604 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -165.51 117.48 1.12 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.075 -1.016 . . . . 0.0 109.625 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD2' HD12 ' A' ' 20' ' ' ILE . 65.8 m-85 58.9 41.36 21.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.077 -1.015 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.7 t70 57.66 63.05 1.92 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.064 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -179.87 142.91 0.36 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.0 110.252 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.52 134.29 12.33 Favored 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.656 1.57 . . . . 0.0 109.875 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 13' ' ' ILE . 1.8 ptt? -143.39 130.11 20.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.022 -1.049 . . . . 0.0 110.309 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 148.08 22.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.118 -0.989 . . . . 0.0 108.586 179.244 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.4 135.29 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.098 -1.001 . . . . 0.0 110.519 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.406 ' HB2' ' N4 ' ' B' ' 43' ' ' ' C' . 6.8 mt-30 -134.1 140.63 46.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 23.6 m-85 -52.13 176.46 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.791 -1.193 . . . . 0.0 109.76 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.476 ' HB1' ' H62' ' B' ' 44' ' ' ' A' . . . -84.66 178.78 7.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.041 -1.037 . . . . 0.0 109.326 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 11.1 mmtp -84.43 -49.3 8.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.021 -1.049 . . . . 0.0 109.184 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 p -114.81 179.52 3.93 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.112 -0.993 . . . . 0.0 109.358 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.441 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -75.3 -179.79 4.69 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.041 -1.037 . . . . 0.0 109.187 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.452 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 1.7 t -89.76 155.83 18.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 109.36 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -32.93 22.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.043 -1.036 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pp -56.94 -24.5 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.711 -1.243 . . . . 0.0 109.657 178.816 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.645 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -72.49 -44.13 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 120.425 -1.422 . . . . 0.0 107.364 177.886 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.18 -32.78 24.68 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.118 -0.989 . . . . 0.0 110.12 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 25.3 mtpt -75.72 -38.35 58.64 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.757 -1.214 . . . . 0.0 110.863 -179.411 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.7 mmt -66.59 -22.76 66.13 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.29 53.73 1.18 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 175.251 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 100' ' ' PHE . . . 72.62 130.81 0.13 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 106.308 -2.717 . . . . 0.0 106.308 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 95' ' ' LYS . 7.2 t -27.6 -40.41 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 CA-C-N 117.86 0.83 . . . . 0.0 113.041 -177.791 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.425 ' HD2' HG23 ' A' ' 101' ' ' VAL . 62.7 t80 -153.07 -58.48 0.13 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.922 179.754 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.425 HG23 ' HD2' ' A' ' 100' ' ' PHE . 99.1 t . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.038 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 110.914 2.714 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 111.136 2.936 . 0.497 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 O4'-C1'-N19 110.995 2.795 . 0.209 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 O4'-C1'-N19 110.859 2.659 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.43 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.968 0 O4'-C1'-N19 110.976 2.776 . 0.314 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . 0.446 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.292 3.102 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 25' ' ' ' G' . . . . . 0.532 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 O4'-C1'-N19 111.539 3.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.532 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.229 0 O4'-C1'-N19 111.753 3.553 . 0.064 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.208 3.008 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . 0.522 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 110.903 2.703 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' ' U' . . . . . 0.522 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.095 2.895 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C3'-C2'-C1' 104.185 2.983 . 0.285 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ' C' . . . . . 0.444 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.705 -2.53 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 O4'-C1'-N19 110.796 2.596 . 0.825 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 0 O4'-C1'-N19 111.129 2.929 . 0.609 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.08 2.88 . 0.194 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 37' ' ' ' A' . . . . . 0.468 " O2'" " C5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C3'-C2'-C1' 104.378 3.198 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . 0.468 " C5'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 110.99 2.79 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.067 2.867 . 0.307 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 110.999 2.799 . 0.091 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.934 0 O4'-C1'-N19 110.913 2.713 . 0.377 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . 0.458 ' N2 ' ' CB ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 O4'-C1'-N19 110.904 2.704 . 0.025 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' ' C' . . . . . 0.446 ' C6 ' ' HE3' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C1'-N19 110.861 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . 0.458 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 110.857 2.657 . 0.471 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 111.533 3.333 . 0.233 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 O4'-C1'-N19 111.194 2.994 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.318 3.118 . 0.054 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 48' ' ' ' G' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 111.05 2.85 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 111.175 2.975 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 110.891 2.691 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 10.9 t -73.74 -46.31 7.05 Favored Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.012 -1.055 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.4 Cg_endo -79.04 149.68 22.68 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.026 1.151 . . . . 0.0 110.396 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.05 172.79 8.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.027 -1.046 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.53 77.25 1.5 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 109.698 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 1.1 mtm180 -104.89 154.33 38.71 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.096 -1.003 . . . . 0.0 109.306 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.64 137.25 16.08 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.871 1.714 . . . . 0.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m120 -147.39 170.75 16.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.631 -179.891 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -94.0 -40.22 10.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.103 -0.998 . . . . 0.0 109.733 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.429 ' OG1' ' HB3' ' A' ' 90' ' ' SER . 59.5 m -99.84 124.79 45.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.018 -1.051 . . . . 0.0 109.434 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.403 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 3.6 pt -88.1 164.43 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.971 -1.08 . . . . 0.0 109.23 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -131.99 133.88 44.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 -179.539 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.29 147.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.171 179.682 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 16' ' ' LEU . 17.2 p-10 -140.34 -175.14 4.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.968 -1.083 . . . . 0.0 109.349 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.3 t30 61.6 43.49 9.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 HG22 ' A' ' 13' ' ' ILE . 11.0 mp -96.32 -179.84 4.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.097 -1.002 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.8 m120 -80.22 152.13 29.29 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.061 -1.024 . . . . 0.0 109.336 179.818 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.39 41.12 1.35 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.0 109.506 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -153.07 38.07 0.5 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.958 -1.088 . . . . 0.0 109.917 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.689 HD13 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -111.59 156.78 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.058 -1.026 . . . . 0.0 109.775 -179.672 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 20' ' ' ILE . 34.0 mtpt -90.98 -178.93 5.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.156 179.055 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -82.48 -35.86 27.04 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.052 . . . . 0.0 109.908 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.08 -12.37 60.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.986 -1.071 . . . . 0.0 109.915 179.256 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -93.67 -44.38 8.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.611 -1.306 . . . . 0.0 110.083 -179.74 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 20' ' ' ILE . 8.2 tp -71.18 -32.44 68.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.001 -1.062 . . . . 0.0 110.527 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -77.65 -27.36 50.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.757 -1.214 . . . . 0.0 110.261 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -31.0 57.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.524 -1.36 . . . . 0.0 110.135 179.766 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -36.9 30.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.742 -1.224 . . . . 0.0 110.443 -179.436 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 89.1 mt -69.91 -42.72 72.98 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.798 -1.189 . . . . 0.0 109.571 -179.651 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 11.4 t-80 -66.79 -27.6 67.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.206 -0.934 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.76 -66.97 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.698 -1.251 . . . . 0.0 110.053 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -56.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 0.0 111.306 -178.635 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 50.7 m-85 -59.33 -37.39 77.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.827 -1.171 . . . . 0.0 110.999 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 28.5 p -61.2 -33.72 73.92 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.803 -1.185 . . . . 0.0 110.8 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -50.78 -37.36 41.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.656 -1.278 . . . . 0.0 110.404 -179.278 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.1 -55.03 11.97 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.93 -1.106 . . . . 0.0 109.707 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.11 -128.28 1.94 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -123.42 139.08 54.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.119 -1.224 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.446 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 63.5 mt -105.77 129.58 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.998 -1.064 . . . . 0.0 109.513 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 92' ' ' ILE . 3.6 mp -75.7 -39.92 56.6 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.101 -1.0 . . . . 0.0 109.569 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.34 162.62 2.94 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.118 -0.989 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 55' ' ' PHE . 36.8 mt -132.92 132.62 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.055 -1.028 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.43 115.22 30.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.046 -1.034 . . . . 0.0 109.382 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.8 159.87 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.12 -0.988 . . . . 0.0 109.036 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.446 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.4 OUTLIER -131.12 152.35 50.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.002 -1.061 . . . . 0.0 109.583 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HB3' ' N7 ' ' B' ' 24' ' ' ' A' . 3.5 ttt85 -148.93 35.19 0.75 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.03 -1.044 . . . . 0.0 110.031 179.882 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p -111.3 172.11 7.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 108.863 179.659 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 3.7 tt -61.15 -57.73 11.27 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.832 -1.167 . . . . 0.0 109.602 -179.694 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -55.95 -41.49 74.76 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.968 -1.082 . . . . 0.0 109.562 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 mtt -105.84 59.93 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.1 OUTLIER -105.38 130.33 53.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.459 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 39.65 49.09 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.71 146.51 25.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.045 -1.268 . . . . 0.0 109.783 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.68 172.87 12.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.08 -1.012 . . . . 0.0 109.886 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.8 m-85 -133.59 138.75 46.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.066 -1.021 . . . . 0.0 108.933 179.779 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 59.5 t -124.02 138.96 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.874 -1.141 . . . . 0.0 109.78 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HG12 ' A' ' 92' ' ' ILE . 6.5 mt -113.93 123.17 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.94 -1.1 . . . . 0.0 108.959 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 3.9 m-85 -100.58 153.85 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.03 . . . . 0.0 109.46 -179.765 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' HD13 ' A' ' 40' ' ' LEU . 20.9 ttmt -61.3 -41.06 96.34 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 109.113 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -124.75 152.82 43.32 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 8' ' ' ASN . 46.7 t -61.41 -34.49 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.143 -0.973 . . . . 0.0 110.078 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -57.99 -36.17 72.26 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.838 -1.164 . . . . 0.0 110.38 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.1 m -63.55 -36.96 85.52 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.749 -1.22 . . . . 0.0 110.218 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.59 -22.91 58.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.914 -1.117 . . . . 0.0 110.048 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.465 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 21.7 m -71.43 -42.3 68.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.78 -1.2 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -67.35 -42.26 83.8 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.109 -0.995 . . . . 0.0 109.084 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -58.57 -35.39 72.31 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.076 -1.015 . . . . 0.0 109.798 179.824 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -66.48 -45.54 79.29 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.816 -1.177 . . . . 0.0 109.518 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 8.92 25.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.062 -1.024 . . . . 0.0 111.745 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t -99.16 -43.68 6.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.377 -1.452 . . . . 0.0 109.802 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -107.1 37.89 2.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.003 -1.061 . . . . 0.0 109.815 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.44 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.887 -1.133 . . . . 0.0 109.172 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.05 64.5 3.23 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.39 167.83 11.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.025 -1.28 . . . . 0.0 109.788 -179.4 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 132.37 11.53 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 121.847 1.698 . . . . 0.0 110.425 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 19.0 t80 -127.3 -60.8 1.18 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.991 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.559 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.9 m-85 -124.53 68.94 1.09 Allowed 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.078 -1.014 . . . . 0.0 109.066 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.44 41.7 18.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.001 -1.062 . . . . 0.0 109.433 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -177.65 154.15 1.01 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.083 -1.011 . . . . 0.0 109.887 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.81 149.9 26.71 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 C-N-CA 121.703 1.602 . . . . 0.0 110.007 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.6 139.15 18.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.936 -1.102 . . . . 0.0 110.397 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.92 143.24 34.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 108.541 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.33 137.39 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.993 -1.067 . . . . 0.0 110.465 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.72 134.38 47.59 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.884 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -50.06 157.24 0.66 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.901 -1.124 . . . . 0.0 109.851 -179.389 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' HA ' ' N3 ' ' B' ' 43' ' ' ' C' . . . -80.91 169.03 18.07 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.522 -179.738 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HE3' ' C6 ' ' B' ' 43' ' ' ' C' . 34.9 mttt -90.67 -40.85 11.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.189 -0.945 . . . . 0.0 109.235 179.678 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.6 p -106.97 178.97 4.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.313 179.863 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -109.75 170.69 7.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.957 -1.089 . . . . 0.0 109.498 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.429 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 2.4 p -99.46 161.11 13.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.01 . . . . 0.0 109.402 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.27 0.56 34.53 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.075 -1.016 . . . . 0.0 111.06 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.874 HG12 HD13 ' A' ' 57' ' ' ILE . 2.0 pp -63.76 -30.16 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.49 -1.381 . . . . 0.0 107.641 177.719 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.82 HG22 ' HE1' ' A' ' 96' ' ' MET . 3.2 mm -58.25 -42.53 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' THR . . . -58.38 -46.73 85.79 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.353 -0.842 . . . . 0.0 109.052 178.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -44.77 -33.29 1.84 Allowed 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.058 -1.026 . . . . 0.0 111.644 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.82 ' HE1' HG22 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -63.09 167.02 5.28 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.305 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? 51.27 27.58 3.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.923 -1.111 . . . . 0.0 109.846 -179.301 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.26 64.36 4.08 Favored Glycine 0 N--CA 1.483 1.824 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.091 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 94' ' ' ALA . 1.7 t 40.94 101.35 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.835 -0.803 . . . . 0.0 111.864 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 t80 50.03 -176.49 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.058 -1.026 . . . . 0.0 110.553 178.728 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 120.919 -1.113 . . . . 0.0 109.029 -179.833 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.536 0.615 0 N-CA-C 110.463 -0.63 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -150.52 -177.6 6.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 -43.13 11.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.057 -1.027 . . . . 0.0 109.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 56' ' ' VAL . 44.8 m -105.86 142.03 36.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.097 -1.002 . . . . 0.0 108.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.863 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 1.5 pt -106.55 146.8 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.013 -1.054 . . . . 0.0 109.195 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 26.1 t80 -110.83 123.19 49.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.363 -0.835 . . . . 0.0 109.111 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 HG12 ' A' ' 83' ' ' ILE . 4.5 mt -106.87 135.69 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 108.995 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -130.4 -175.23 3.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.951 -1.093 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 63.88 41.57 6.62 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.989 -1.07 . . . . 0.0 109.529 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' GLN . 66.6 mt -100.19 -175.18 2.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.066 -1.021 . . . . 0.0 109.425 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.46 154.04 35.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.982 -1.074 . . . . 0.0 109.218 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -101.47 37.68 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.954 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -149.51 34.94 0.71 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.902 -1.124 . . . . 0.0 110.108 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.6 mm -98.81 150.75 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.837 -1.164 . . . . 0.0 109.86 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -84.24 -178.55 6.97 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -85.04 -38.5 19.1 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.915 -1.116 . . . . 0.0 109.518 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -22.81 52.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.129 -0.982 . . . . 0.0 109.256 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.5 mt-10 -80.08 -42.8 22.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.761 -1.212 . . . . 0.0 110.251 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.782 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -70.25 -36.4 74.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.147 . . . . 0.0 110.171 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.87 -30.69 64.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.853 -1.154 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -71.58 -33.35 68.97 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.753 -1.217 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 68.6 m -75.33 -38.84 59.98 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.735 -1.228 . . . . 0.0 110.007 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.5 mt -66.49 -34.74 78.6 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.853 -1.154 . . . . 0.0 110.166 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.1 t-80 -76.18 -19.26 58.6 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.918 -1.114 . . . . 0.0 111.297 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.62 -39.41 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.441 -1.412 . . . . 0.0 110.297 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -82.59 -54.93 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 120.903 -1.123 . . . . 0.0 110.617 -179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 51.1 m-85 -59.78 -36.26 76.34 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.921 -1.112 . . . . 0.0 110.272 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.542 ' N ' HD11 ' A' ' 39' ' ' ILE . 82.9 p -61.5 -36.44 80.49 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.771 -1.206 . . . . 0.0 109.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -49.56 -38.56 31.62 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.762 -1.211 . . . . 0.0 110.154 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -71.93 -54.02 11.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.982 -1.074 . . . . 0.0 109.304 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.94 -162.36 10.43 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -91.11 135.63 33.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.002 -1.293 . . . . 0.0 109.338 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 34' ' ' SER . 39.7 mt -98.99 147.21 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.011 -1.056 . . . . 0.0 109.709 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 57' ' ' ILE . 50.0 mt -87.66 -53.87 4.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.088 -1.007 . . . . 0.0 109.31 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.57 166.08 29.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 29' ' ' LEU . 56.0 mt -136.13 131.27 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.102 -0.999 . . . . 0.0 108.897 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.48 141.3 48.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.973 -1.079 . . . . 0.0 109.871 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.54 132.25 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.065 -1.022 . . . . 0.0 109.04 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -117.48 149.48 40.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 109.877 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -117.81 39.9 3.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.034 . . . . 0.0 109.742 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 178.36 6.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.983 -1.073 . . . . 0.0 109.078 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.88 -56.83 15.92 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.845 -1.159 . . . . 0.0 109.413 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -59.08 -40.2 84.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.05 -1.032 . . . . 0.0 109.299 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.1 56.65 2.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.045 -1.035 . . . . 0.0 109.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 47.56 0.9 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.873 -1.142 . . . . 0.0 109.128 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.92 60.03 0.02 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.1 pt20 -173.73 167.41 4.46 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.09 -1.241 . . . . 0.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.7 8.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.859 -1.151 . . . . 0.0 110.149 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 31.6 m-85 -137.94 133.45 33.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.022 -1.049 . . . . 0.0 109.011 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 HG13 ' A' ' 11' ' ' ILE . 12.3 p -123.11 139.8 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.95 -1.094 . . . . 0.0 109.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.668 ' CG2' HD11 ' A' ' 93' ' ' ILE . 5.2 mp -101.8 126.02 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.998 -1.064 . . . . 0.0 108.614 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.4 152.33 18.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -54.03 -39.13 65.88 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.107 -0.996 . . . . 0.0 109.79 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.13 161.34 37.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.004 -1.06 . . . . 0.0 109.809 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.9 -37.51 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.1 -1.0 . . . . 0.0 109.717 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 p -62.42 -37.25 85.09 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.949 -1.094 . . . . 0.0 109.943 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -57.11 -33.16 67.06 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.875 -1.141 . . . . 0.0 110.608 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -78.52 -31.52 47.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.699 -1.25 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 17.8 m -60.88 -41.74 96.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.915 -1.116 . . . . 0.0 109.367 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -72.94 -40.9 65.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.973 -1.08 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.46 62.87 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.945 -1.097 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -89.36 -35.97 15.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.523 -1.361 . . . . 0.0 110.529 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -63.2 -37.42 87.17 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.876 -1.14 . . . . 0.0 110.155 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.44 -31.98 18.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.896 -1.127 . . . . 0.0 110.568 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -101.41 34.18 2.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.752 -1.217 . . . . 0.0 110.232 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -82.38 93.34 7.17 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.818 -1.176 . . . . 0.0 108.866 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.54 62.68 1.84 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.85 167.35 16.29 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.091 -1.24 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.0 137.38 15.56 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.855 1.703 . . . . 0.0 110.626 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 32' ' ' ILE . 9.0 t80 -126.19 -59.73 1.31 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.085 -1.009 . . . . 0.0 108.989 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 20' ' ' ILE . 4.0 m-85 -118.98 67.44 0.78 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.04 -1.038 . . . . 0.0 109.274 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.49 40.28 17.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.631 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -173.12 152.86 2.35 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 120.977 -1.077 . . . . 0.0 109.955 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.67 146.08 23.66 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.775 1.65 . . . . 0.0 110.472 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 135.77 13.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.072 -1.017 . . . . 0.0 110.193 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -97.63 146.65 25.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 108.847 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 68' ' ' LEU . 66.9 mt -108.28 137.21 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 110.334 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -123.13 134.99 54.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -50.33 157.61 0.68 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.861 -1.149 . . . . 0.0 110.008 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.78 17.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.993 -1.067 . . . . 0.0 109.691 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -92.04 -39.69 11.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.135 -0.978 . . . . 0.0 109.677 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.1 p -117.38 179.65 3.99 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.974 -1.079 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.97 -176.44 5.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.032 -1.043 . . . . 0.0 109.269 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.06 148.34 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.049 -1.032 . . . . 0.0 109.669 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.8 -26.0 64.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.096 -1.002 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 57' ' ' ILE . 33.0 pt -67.09 -39.21 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.548 -1.345 . . . . 0.0 109.063 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.668 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.6 mp . . . . . 0 N--CA 1.505 2.3 0 O-C-N 120.99 -1.069 . . . . 0.0 109.706 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.444 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.7 Cg_endo . . . . . 0 CA--C 1.537 0.65 0 N-CA-C 110.429 -0.643 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG13 ' A' ' 61' ' ' VAL . 12.6 m120 -115.97 -179.76 3.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.121 -0.987 . . . . 0.0 109.561 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.59 -39.27 10.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 m -108.11 135.76 48.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.001 -1.062 . . . . 0.0 109.781 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.7 pp -94.11 176.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.98 . . . . 0.0 108.806 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 77.4 t80 -147.9 150.18 33.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.026 -1.046 . . . . 0.0 109.721 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.531 HD11 HD11 ' A' ' 11' ' ' ILE . 2.7 mp -138.67 144.06 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 0.0 108.797 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -143.86 -175.96 4.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 109.455 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.91 43.89 8.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 109.126 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 13' ' ' ILE . 23.1 mt -99.77 -171.16 2.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 0.0 109.179 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.53 153.1 33.72 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.972 -1.08 . . . . 0.0 109.363 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.5 42.09 1.28 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -148.17 34.91 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.474 HG12 ' CD2' ' A' ' 77' ' ' TYR . 3.6 mt -110.43 156.6 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.959 -1.088 . . . . 0.0 109.89 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -91.79 -179.95 5.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.977 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.56 -36.75 32.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.986 -1.071 . . . . 0.0 109.872 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -74.44 -20.83 59.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.095 -1.003 . . . . 0.0 109.598 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 39.5 mt-10 -81.54 -45.13 16.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.647 -1.283 . . . . 0.0 110.087 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.0 tp -71.21 -28.5 64.25 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.9 -1.125 . . . . 0.0 110.784 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -81.19 -29.56 34.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.694 -1.254 . . . . 0.0 109.918 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.35 -30.28 61.94 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.744 -1.223 . . . . 0.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -83.29 -38.27 22.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.622 -1.299 . . . . 0.0 110.213 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.51 -39.17 88.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.867 -1.146 . . . . 0.0 109.977 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' HA ' HD11 ' A' ' 42' ' ' ILE . 5.0 t-80 -66.6 -29.43 69.48 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.049 . . . . 0.0 110.743 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.31 -68.05 0.68 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.691 -1.256 . . . . 0.0 109.993 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -49.08 -55.75 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.911 -1.118 . . . . 0.0 111.371 -178.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 51.6 m-85 -61.91 -41.68 98.19 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.77 -1.206 . . . . 0.0 110.914 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -53.47 -33.45 54.25 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.739 -1.226 . . . . 0.0 110.49 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -54.52 -49.06 71.12 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.63 -1.294 . . . . 0.0 109.609 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -57.41 -59.01 5.79 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 -163.99 11.11 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.15 143.97 26.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.031 -1.276 . . . . 0.0 109.474 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 57' ' ' ILE . 60.2 mt -110.45 145.14 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.013 . . . . 0.0 109.65 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD13 ' CA ' ' A' ' 59' ' ' LYS . 3.1 mp -91.88 -41.22 10.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.143 -0.973 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -173.17 141.96 0.99 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.8 mt -111.2 131.45 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.006 -1.059 . . . . 0.0 109.326 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.37 127.76 46.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.995 -1.066 . . . . 0.0 109.715 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -133.69 127.5 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.095 -1.003 . . . . 0.0 109.152 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -119.55 159.59 24.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.961 -1.087 . . . . 0.0 109.696 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -124.31 32.03 5.61 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.041 -1.037 . . . . 0.0 110.247 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -94.0 174.91 6.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.83 -1.169 . . . . 0.0 108.787 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.92 -54.78 43.25 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.84 -1.163 . . . . 0.0 109.651 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -56.03 -39.93 72.69 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.934 -1.104 . . . . 0.0 109.705 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -99.85 60.91 1.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.934 -1.104 . . . . 0.0 109.449 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 119.7 40.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.949 -1.095 . . . . 0.0 109.477 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 16' ' ' LEU . . . 67.42 40.08 91.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -157.04 143.31 18.05 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.952 -1.322 . . . . 0.0 109.921 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.28 165.66 35.02 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.992 -1.068 . . . . 0.0 110.286 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.5 m-85 -118.62 152.6 35.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.97 -1.081 . . . . 0.0 109.072 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.83 117.2 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.954 -1.091 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 92' ' ' ILE . 9.9 mt -89.32 136.19 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.914 -1.116 . . . . 0.0 109.054 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 88.0 m-85 -115.45 137.07 52.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 109.507 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.502 ' CA ' HD13 ' A' ' 40' ' ' LEU . 6.8 tmtt? -50.83 -38.38 48.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.949 -1.095 . . . . 0.0 109.889 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -120.48 150.83 40.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.044 -1.035 . . . . 0.0 109.555 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 8' ' ' ASN . 38.3 t -66.75 -38.13 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.811 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -61.24 -35.48 77.35 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.981 -1.074 . . . . 0.0 110.076 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -56.73 -37.13 70.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.79 -1.194 . . . . 0.0 110.094 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -76.38 -31.0 57.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.747 -1.221 . . . . 0.0 109.635 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.522 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -59.61 -40.01 86.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.99 -1.069 . . . . 0.0 109.735 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.16 -35.4 56.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.0 -1.063 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -72.8 -10.83 60.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.769 -1.207 . . . . 0.0 111.25 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.687 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.1 tt -100.19 -41.9 6.91 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.38 -1.45 . . . . 0.0 110.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -73.97 -42.57 60.27 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.76 -1.212 . . . . 0.0 109.856 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -38.02 89.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.07 -1.019 . . . . 0.0 109.752 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -104.67 36.29 2.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -82.31 93.76 7.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.916 -1.115 . . . . 0.0 109.075 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.13 53.56 2.48 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -125.1 164.92 28.79 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.128 -1.219 . . . . 0.0 109.648 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 129.76 9.82 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.798 1.665 . . . . 0.0 110.601 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 17.3 t80 -123.59 -59.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 0.0 108.929 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.53 65.66 0.65 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.014 -1.054 . . . . 0.0 109.096 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.11 40.44 25.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.075 . . . . 0.0 109.524 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.79 153.85 2.75 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.03 -1.043 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.52 143.01 21.29 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.783 1.656 . . . . 0.0 110.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.25 140.74 22.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.968 -1.083 . . . . 0.0 110.001 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -101.23 147.08 26.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.135 -0.978 . . . . 0.0 108.912 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.5 mt -109.5 139.33 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.018 -1.051 . . . . 0.0 110.077 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -140.62 140.0 34.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.059 -1.025 . . . . 0.0 108.831 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.522 ' OH ' HG23 ' A' ' 65' ' ' THR . 20.3 m-85 -51.0 176.1 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.804 -1.185 . . . . 0.0 109.974 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.85 164.97 12.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.995 -1.066 . . . . 0.0 109.508 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -70.61 -44.12 67.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.013 -1.055 . . . . 0.0 109.167 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 p -122.02 179.8 4.4 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.123 -0.986 . . . . 0.0 109.646 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.13 -175.98 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.24 168.95 9.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.084 -1.01 . . . . 0.0 109.519 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -22.92 18.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.05 -1.031 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 HG21 ' A' ' 57' ' ' ILE . 2.0 pp -59.3 -23.93 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.58 -1.325 . . . . 0.0 109.434 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 O-C-N 120.495 -1.378 . . . . 0.0 107.524 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HB3' HG23 ' A' ' 65' ' ' THR . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.676 0 N-CA-C 110.513 -0.61 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-20 -89.2 175.34 7.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.091 -1.005 . . . . 0.0 109.267 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.604 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t60 -68.47 -37.75 80.45 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.009 -1.057 . . . . 0.0 109.783 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.7 m -107.19 156.58 18.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.917 -1.114 . . . . 0.0 109.999 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.704 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 6.3 pt -117.49 147.69 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 108.894 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 80.0 t80 -117.48 147.03 43.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.188 -0.945 . . . . 0.0 109.77 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 16' ' ' LEU . 2.9 mt -126.88 148.06 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.975 . . . . 0.0 108.616 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' O ' HD12 ' A' ' 16' ' ' LEU . 5.1 t30 -139.79 -180.0 6.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.957 -1.089 . . . . 0.0 109.9 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.93 41.42 4.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.985 -1.072 . . . . 0.0 109.648 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 13' ' ' ILE . 10.9 mp -99.3 135.18 41.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.977 -1.077 . . . . 0.0 109.43 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.57 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.6 p30 -58.86 153.75 16.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.014 -1.054 . . . . 0.0 109.008 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -101.96 56.98 0.81 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 110.119 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -147.37 32.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.895 -1.128 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 77' ' ' TYR . 11.4 mm -105.12 154.03 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.785 -1.197 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -81.05 -179.7 7.47 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.76 -39.55 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.919 -1.113 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.29 -18.69 57.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.03 -1.044 . . . . 0.0 109.476 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.1 mt-10 -84.74 -41.84 15.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.683 -1.261 . . . . 0.0 110.238 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD13 HG21 ' A' ' 20' ' ' ILE . 11.5 tp -71.91 -36.37 69.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.906 -1.121 . . . . 0.0 110.144 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -76.0 -32.56 59.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.871 -1.143 . . . . 0.0 109.883 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -72.7 -25.77 61.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.811 -1.181 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -84.21 -37.94 21.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.567 -1.333 . . . . 0.0 110.342 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' CB ' HD13 ' A' ' 42' ' ' ILE . 19.5 mt -66.36 -47.65 72.73 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.916 -1.115 . . . . 0.0 109.516 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.8 t-80 -58.68 -26.15 63.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.22 -0.925 . . . . 0.0 111.044 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.3 -70.41 0.56 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.564 -1.335 . . . . 0.0 110.211 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -44.88 -56.88 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.957 -1.089 . . . . 0.0 111.773 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.7 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 15.5 m-85 -64.43 -35.28 80.4 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.846 -1.159 . . . . 0.0 110.704 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.595 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.5 t -54.4 -35.82 63.28 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.744 -1.223 . . . . 0.0 110.298 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -47.32 61.23 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.728 -1.233 . . . . 0.0 110.132 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 71.8 m-85 -59.88 -58.01 10.42 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.002 -1.062 . . . . 0.0 109.626 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.57 -148.82 4.96 Favored Glycine 0 N--CA 1.495 2.626 0 C-N-CA 119.774 -1.203 . . . . 0.0 110.108 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -97.84 142.15 29.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.32 . . . . 0.0 109.599 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.595 HD11 ' N ' ' A' ' 34' ' ' SER . 33.3 mt -109.3 119.51 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.999 -1.063 . . . . 0.0 109.314 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 59' ' ' LYS . 97.4 mt -61.57 -41.72 97.81 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.977 -1.077 . . . . 0.0 109.33 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.44 159.64 0.71 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.012 -1.055 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' CB ' ' A' ' 29' ' ' LEU . 28.3 mt -123.73 157.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.968 . . . . 0.0 109.011 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -139.13 141.81 38.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.912 -1.118 . . . . 0.0 109.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 25' ' ' LEU . 11.0 m -140.13 121.77 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 108.968 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -104.32 177.74 4.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.039 . . . . 0.0 109.752 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -146.55 35.7 0.96 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.046 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 p -91.76 -169.62 2.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.723 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.75 -40.15 94.8 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.763 -1.211 . . . . 0.0 109.758 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -79.18 -38.75 35.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.96 -1.088 . . . . 0.0 109.928 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mmt -96.44 53.08 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.7 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -107.22 39.46 1.88 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 109.37 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.62 55.57 0.02 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -169.61 170.35 8.15 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.059 -1.26 . . . . 0.0 110.342 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.4 170.81 17.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.773 -1.205 . . . . 0.0 109.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.78 112.77 11.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.004 -1.06 . . . . 0.0 109.472 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.636 HG21 ' CE2' ' A' ' 33' ' ' PHE . 41.4 t -107.26 110.06 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.913 -1.117 . . . . 0.0 109.481 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.757 HG21 HD11 ' A' ' 92' ' ' ILE . 13.6 mt -91.71 125.23 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.155 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 71.0 m-85 -101.46 142.11 33.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.458 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -51.59 -39.72 58.47 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.982 -1.074 . . . . 0.0 109.754 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 153.76 34.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.055 -1.028 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 9' ' ' HIS . 43.4 t -69.99 -35.61 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.049 -1.032 . . . . 0.0 109.978 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 p -60.23 -37.47 80.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.895 -1.128 . . . . 0.0 110.037 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -59.2 -36.09 74.76 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.87 -1.144 . . . . 0.0 110.194 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.704 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -75.61 -29.09 59.11 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.733 -1.229 . . . . 0.0 109.648 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.6 m -63.69 -37.71 88.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.927 -1.108 . . . . 0.0 109.503 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -78.03 -32.15 50.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.69 -13.37 60.05 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.725 -1.235 . . . . 0.0 111.437 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -99.4 -43.41 6.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.391 -1.443 . . . . 0.0 110.444 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -76.82 -40.68 47.13 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 109.742 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 t -64.49 -35.81 82.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.134 -0.979 . . . . 0.0 109.81 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 63.9 mtp -103.14 36.53 2.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.32 101.93 0.27 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.99 -1.069 . . . . 0.0 109.042 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.09 68.64 1.53 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 2.4 m-85 -120.07 162.8 31.65 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.061 -1.258 . . . . 0.0 109.747 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.92 133.39 12.46 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.86 1.707 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -122.63 -59.24 1.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 0.0 108.82 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.689 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.2 m-85 -124.95 68.52 1.11 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.977 -1.077 . . . . 0.0 108.912 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.11 41.91 16.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.034 -1.041 . . . . 0.0 109.154 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -173.03 142.52 1.04 Allowed Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 120.999 -1.063 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.59 146.4 24.13 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.488 1.458 . . . . 0.0 110.149 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.69 138.45 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.995 -1.066 . . . . 0.0 110.345 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -99.92 150.13 22.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -0.99 . . . . 0.0 108.748 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.49 138.65 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.981 -1.074 . . . . 0.0 110.172 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -124.83 134.38 52.75 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 69.8 m-85 -48.39 143.14 5.01 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.019 -1.05 . . . . 0.0 110.814 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.15 -172.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -97.21 -44.42 6.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.055 . . . . 0.0 109.716 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -118.64 179.8 4.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 109.822 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.64 -174.39 5.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.065 -1.022 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.15 164.24 12.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.064 -1.022 . . . . 0.0 109.749 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.75 -35.13 39.24 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.986 -1.071 . . . . 0.0 109.944 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -54.45 -27.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.743 -1.223 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.501 2.083 0 O-C-N 120.456 -1.403 . . . . 0.0 108.397 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.537 0.647 0 N-CA-C 110.158 -0.747 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.538 ' C ' HG13 ' A' ' 61' ' ' VAL . 3.9 m120 -135.59 157.17 47.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.027 . . . . 0.0 109.597 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -57.17 -39.35 75.12 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.126 -0.984 . . . . 0.0 109.632 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.9 m -108.44 140.75 41.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.984 -1.072 . . . . 0.0 109.784 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.705 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.4 pt -100.66 147.99 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 0.0 109.152 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 79.9 t80 -118.02 122.44 43.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.88 148.64 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.118 -0.989 . . . . 0.0 109.057 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -146.71 -175.06 4.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.991 -1.068 . . . . 0.0 109.698 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.95 40.83 22.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.044 -1.035 . . . . 0.0 109.391 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 53' ' ' GLN . 5.6 mt -100.23 143.64 30.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.599 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.2 p30 -60.96 153.73 24.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.078 -1.014 . . . . 0.0 108.725 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -100.4 59.32 0.99 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.0 109.959 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -148.51 33.6 0.79 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.048 . . . . 0.0 110.403 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.738 HG21 HD13 ' A' ' 25' ' ' LEU . 7.1 mm -111.48 153.74 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.821 -1.175 . . . . 0.0 109.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -83.88 -178.74 7.08 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -86.87 -39.97 15.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.882 -1.137 . . . . 0.0 109.309 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.12 -23.04 54.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.082 -1.011 . . . . 0.0 109.1 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.9 tt0 -79.74 -44.31 20.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.864 -1.147 . . . . 0.0 110.127 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 20' ' ' ILE . 10.4 tp -69.86 -31.17 68.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.91 -1.119 . . . . 0.0 110.514 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 ttmt -76.35 -32.18 58.49 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.762 -1.211 . . . . 0.0 109.997 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -34.94 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.818 -1.176 . . . . 0.0 110.423 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 t -78.47 -33.51 48.26 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.763 -1.211 . . . . 0.0 110.389 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.84 -42.62 90.28 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.757 -1.214 . . . . 0.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' O ' ' OG ' ' A' ' 34' ' ' SER . 9.5 t-80 -64.56 -27.75 69.17 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.218 -0.926 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -69.4 0.58 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.611 -1.306 . . . . 0.0 110.061 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -54.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.982 -1.074 . . . . 0.0 111.906 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 39.4 m-85 -67.53 -36.5 81.14 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.839 -1.163 . . . . 0.0 111.295 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.598 ' N ' HD11 ' A' ' 39' ' ' ILE . 12.2 p -55.75 -35.42 66.17 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.659 -1.276 . . . . 0.0 110.267 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -51.42 -45.84 62.72 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.701 -1.249 . . . . 0.0 110.023 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 67.7 m-85 -53.47 -62.16 1.83 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.963 -1.085 . . . . 0.0 109.816 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.48 -122.84 1.11 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -122.65 129.94 52.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.057 -1.26 . . . . 0.0 109.398 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.598 HD11 ' N ' ' A' ' 34' ' ' SER . 13.5 mt -96.12 134.59 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 0.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.85 -42.03 18.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.056 . . . . 0.0 109.604 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.13 157.48 18.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.136 -0.978 . . . . 0.0 110.27 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.42 115.43 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.025 . . . . 0.0 109.209 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.59 112.75 24.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.855 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 26' ' ' LYS . 7.8 t -93.5 161.3 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.018 -1.051 . . . . 0.0 108.378 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.06 130.83 39.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.934 -1.103 . . . . 0.0 109.797 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -120.59 30.96 6.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.084 -1.01 . . . . 0.0 110.37 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 t -103.26 159.82 15.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.695 -1.253 . . . . 0.0 109.027 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.67 -57.27 13.45 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.853 -1.154 . . . . 0.0 109.515 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -54.19 -37.19 64.23 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.003 -1.06 . . . . 0.0 110.07 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.41 51.87 0.73 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 0.0 109.107 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -105.37 154.2 20.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.106 -0.996 . . . . 0.0 109.521 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.58 93.55 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 7.3 pt20 -158.73 159.89 35.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.919 -1.342 . . . . 0.0 109.827 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.44 171.12 16.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.927 -1.108 . . . . 0.0 109.912 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -132.48 132.01 42.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 109.031 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' THR . 22.4 t -129.55 147.38 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 109.562 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 1.036 HG21 HD11 ' A' ' 92' ' ' ILE . 53.4 mt -127.62 138.2 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.007 -1.058 . . . . 0.0 108.648 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE1' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -124.0 153.49 41.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.069 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 117.94 5.28 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 71.69 156.47 0.16 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 9' ' ' HIS . 35.5 t -74.84 -30.46 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.08 -1.012 . . . . 0.0 110.857 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 p -58.07 -38.48 76.43 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.746 -1.221 . . . . 0.0 110.594 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 29.3 t -58.62 -37.19 75.36 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.82 -1.175 . . . . 0.0 110.47 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.25 -28.13 56.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.723 -1.236 . . . . 0.0 109.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.757 HG22 ' HD2' ' A' ' 69' ' ' ARG . 4.3 m -59.28 -38.46 80.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.801 -1.187 . . . . 0.0 109.574 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.17 -35.17 31.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.974 -1.079 . . . . 0.0 109.843 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -64.16 -19.95 65.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.774 -1.204 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.26 -52.15 3.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.386 -1.446 . . . . 0.0 110.966 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -55.86 -40.51 73.01 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.844 -1.16 . . . . 0.0 110.163 -179.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 2.4 m -69.18 -33.71 73.79 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.03 -1.044 . . . . 0.0 110.331 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -101.43 35.36 2.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.761 -1.212 . . . . 0.0 110.167 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.57 96.12 1.92 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.878 -1.139 . . . . 0.0 108.946 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.8 69.43 1.4 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -130.52 161.68 59.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.266 . . . . 0.0 109.442 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 34.7 Cg_endo -76.47 138.21 19.36 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.828 1.685 . . . . 0.0 110.158 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 6.6 t80 -129.68 -59.94 1.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.109 -0.994 . . . . 0.0 109.315 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.709 ' CD2' HD12 ' A' ' 20' ' ' ILE . 2.9 m-85 -122.79 69.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.032 -1.042 . . . . 0.0 109.099 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.8 42.06 20.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.951 -1.093 . . . . 0.0 109.098 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 80' ' ' PRO . 19.3 tttp -176.79 140.91 0.49 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.116 -0.99 . . . . 0.0 109.771 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 79' ' ' LYS . 34.5 Cg_endo -76.61 148.16 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 121.399 1.399 . . . . 0.0 110.134 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.2 143.36 24.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.078 -1.014 . . . . 0.0 110.004 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -98.01 146.68 25.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.94 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.801 HG22 HD11 ' A' ' 68' ' ' LEU . 55.6 mt -112.44 137.91 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.031 -1.043 . . . . 0.0 110.153 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -132.7 135.34 45.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 108.541 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 60.5 m-85 -47.91 169.22 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.053 -1.029 . . . . 0.0 110.901 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.97 128.19 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -54.69 -37.99 66.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.906 -1.121 . . . . 0.0 109.892 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 2.7 p -99.66 178.94 4.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.935 -1.103 . . . . 0.0 109.537 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -116.82 175.87 5.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.965 -1.084 . . . . 0.0 109.538 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -98.24 165.25 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -103.09 -8.46 20.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.087 -1.008 . . . . 0.0 111.75 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 1.036 HD11 HG21 ' A' ' 57' ' ' ILE . 1.1 pt -56.56 -24.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.305 -1.497 . . . . 0.0 109.487 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.7 mm . . . . . 0 N--CA 1.499 2.013 0 O-C-N 120.56 -1.337 . . . . 0.0 108.216 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.64 0 N-CA-C 110.373 -0.664 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 m-20 -105.24 172.96 6.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.528 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.92 -39.53 34.54 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.078 -1.014 . . . . 0.0 109.438 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.5 m -107.32 156.32 19.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.994 -1.066 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.601 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 30.0 pt -113.79 160.22 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 108.579 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' ILE . 42.8 t80 -125.36 121.73 34.77 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.28 152.18 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.897 -1.127 . . . . 0.0 109.077 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.35 159.82 41.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.018 . . . . 0.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t30 71.16 71.67 0.18 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.045 -1.035 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' GLY . 30.4 mt -123.65 -175.19 3.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.004 -1.06 . . . . 0.0 109.024 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.53 148.18 48.51 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.921 -1.112 . . . . 0.0 109.171 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.92 35.49 2.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.047 -1.033 . . . . 0.0 110.289 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -154.29 38.42 0.44 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.869 -1.144 . . . . 0.0 109.705 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 25' ' ' LEU . 14.1 mm -105.08 156.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.068 -1.02 . . . . 0.0 110.583 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -173.46 3.58 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 121.402 -0.811 . . . . 0.0 109.189 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -86.87 -37.66 17.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.021 -1.049 . . . . 0.0 109.6 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.15 -22.73 48.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.121 -0.987 . . . . 0.0 109.319 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.1 tp10 -82.61 -40.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.686 -1.259 . . . . 0.0 110.281 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 29' ' ' LEU . 8.7 tp -76.88 -28.07 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.95 -1.094 . . . . 0.0 110.727 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -85.61 -24.19 27.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.625 -1.297 . . . . 0.0 109.773 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -78.06 -24.15 47.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.576 -1.328 . . . . 0.0 110.156 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -95.5 -41.93 8.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.568 -1.332 . . . . 0.0 110.954 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -77.09 -31.65 56.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.815 -1.178 . . . . 0.0 109.783 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 59.1 t-80 -66.18 -29.65 69.97 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.788 -1.195 . . . . 0.0 109.28 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.18 -58.45 3.27 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.775 -1.203 . . . . 0.0 109.754 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -57.79 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.134 . . . . 0.0 111.129 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.772 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 27.5 m-85 -63.93 -29.69 70.84 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.758 -1.214 . . . . 0.0 111.204 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -62.34 -33.04 73.92 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.736 -1.228 . . . . 0.0 111.209 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -32.48 19.86 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.638 -1.289 . . . . 0.0 110.932 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -64.6 -60.5 3.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.654 -1.279 . . . . 0.0 109.35 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.82 -96.46 0.17 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -147.87 134.91 20.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.237 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 65.3 mt -97.13 118.24 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.151 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 92' ' ' ILE . 1.1 tp -62.76 -43.2 99.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.989 -1.07 . . . . 0.0 109.355 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.98 146.32 0.24 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.1 -1.0 . . . . 0.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 55' ' ' PHE . 9.7 mt -119.39 141.77 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.092 -1.005 . . . . 0.0 109.106 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.47 134.64 53.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.994 -1.067 . . . . 0.0 110.306 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 44' ' ' VAL . 17.3 m -143.37 121.36 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -114.36 -177.73 3.2 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.884 -1.135 . . . . 0.0 110.08 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 33.07 3.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 p -85.45 172.58 10.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.705 -1.247 . . . . 0.0 108.665 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.15 -42.99 99.54 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.783 -1.198 . . . . 0.0 109.912 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -99.41 62.63 1.24 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.0 109.64 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.51 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 151.0 2.14 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.867 -1.146 . . . . 0.0 110.059 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 101.18 -36.44 4.2 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -113.92 179.45 3.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.939 -1.33 . . . . 0.0 109.177 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.35 173.14 17.11 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.994 -1.067 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 42' ' ' ILE . 97.5 m-85 -129.71 139.72 51.28 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.03 -1.043 . . . . 0.0 109.136 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.04 98.6 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.87 -1.144 . . . . 0.0 109.571 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 92' ' ' ILE . 3.3 mp -85.48 118.48 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.971 -1.081 . . . . 0.0 109.235 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -91.5 144.78 25.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.103 -0.998 . . . . 0.0 109.173 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -47.78 -36.7 12.06 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.156 -0.965 . . . . 0.0 110.914 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.98 155.75 43.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.821 -1.174 . . . . 0.0 110.008 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 8' ' ' ASN . 47.9 t -62.95 -37.18 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.096 -1.002 . . . . 0.0 109.643 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -61.44 -36.54 80.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.916 -1.115 . . . . 0.0 109.804 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -34.99 72.96 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.86 -1.15 . . . . 0.0 110.278 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.89 -28.76 55.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.751 -1.218 . . . . 0.0 109.889 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.537 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.5 m -66.36 -36.79 83.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.859 -1.151 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.34 -37.19 52.94 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.871 -1.143 . . . . 0.0 109.642 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.772 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.64 -23.83 66.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.865 -1.147 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -88.9 -36.16 16.1 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.484 -1.385 . . . . 0.0 110.405 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -66.83 -35.22 79.54 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.875 -1.141 . . . . 0.0 110.342 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -88.41 -34.11 17.66 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.909 -1.119 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.4 mtp -101.49 34.32 2.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.775 -1.203 . . . . 0.0 110.31 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 96.11 4.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.176 . . . . 0.0 108.523 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.04 60.12 2.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.41 159.21 42.64 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.123 -1.222 . . . . 0.0 109.941 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.67 140.38 20.99 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.798 1.665 . . . . 0.0 110.115 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CZ ' ' CE1' ' A' ' 77' ' ' TYR . 15.0 t80 -135.75 -61.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.128 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 m-85 -115.99 70.54 0.76 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.048 -1.032 . . . . 0.0 109.603 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.45 42.02 25.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.037 -1.039 . . . . 0.0 109.818 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 152.76 0.77 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.947 -1.096 . . . . 0.0 110.188 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.27 148.91 24.45 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.821 1.681 . . . . 0.0 110.034 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -149.14 120.9 8.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.991 -1.068 . . . . 0.0 110.073 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -91.22 151.94 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.083 -1.011 . . . . 0.0 108.809 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.573 HG22 HD11 ' A' ' 68' ' ' LEU . 57.8 mt -127.37 137.57 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.103 -0.998 . . . . 0.0 110.563 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.08 145.33 50.38 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' OH ' HG23 ' A' ' 65' ' ' THR . 11.6 m-85 -49.5 136.2 16.9 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.036 -1.04 . . . . 0.0 110.152 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.26 179.71 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.013 -1.054 . . . . 0.0 109.656 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -93.21 -47.35 6.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.685 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -111.41 178.9 4.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.01 . . . . 0.0 109.633 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -81.98 -173.16 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.033 -1.042 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.439 ' OG ' HG13 ' A' ' 92' ' ' ILE . 2.8 t -99.74 150.9 21.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.068 -1.02 . . . . 0.0 109.664 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.04 -31.41 30.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.099 -1.001 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.699 HD12 HD23 ' A' ' 40' ' ' LEU . 1.4 pt -58.72 -27.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.715 -1.241 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.504 2.259 0 O-C-N 120.443 -1.41 . . . . 0.0 109.221 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 CA--C 1.538 0.703 0 N-CA-C 110.486 -0.621 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m120 -116.9 -178.26 3.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.081 -1.012 . . . . 0.0 109.43 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.538 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.83 30.75 5.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.038 -1.039 . . . . 0.0 110.336 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.434 ' OG1' HG12 ' A' ' 57' ' ' ILE . 56.7 m -167.92 110.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.775 -1.203 . . . . 0.0 110.319 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 33' ' ' PHE . 2.9 pt -72.72 167.37 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.918 -1.114 . . . . 0.0 108.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -138.92 133.8 32.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.955 -1.09 . . . . 0.0 109.634 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 29' ' ' LEU . 3.1 mt -126.95 146.45 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.918 -1.114 . . . . 0.0 109.475 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -144.71 -173.77 4.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.023 -1.048 . . . . 0.0 109.621 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 62.06 44.2 8.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.038 -1.039 . . . . 0.0 109.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLN . 44.0 mt -89.19 -173.61 4.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HB3' HD11 ' A' ' 20' ' ' ILE . 2.3 t-20 -81.13 153.11 27.46 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 109.157 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.27 42.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 109.834 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -148.24 33.93 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.912 -1.118 . . . . 0.0 110.095 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -121.22 157.22 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.084 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -94.77 -170.5 2.24 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.214 -0.929 . . . . 0.0 109.131 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -84.25 -36.42 22.72 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.027 -1.046 . . . . 0.0 110.011 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.79 -31.95 72.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.958 -1.089 . . . . 0.0 108.796 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' A' ' 20' ' ' ILE . 15.8 mt-10 -74.7 -53.25 9.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 109.398 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -51.32 -30.68 19.12 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.011 -1.056 . . . . 0.0 111.115 -179.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -78.55 -39.06 38.88 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.68 -1.262 . . . . 0.0 109.707 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -23.66 67.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.066 . . . . 0.0 110.943 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 24.0 m -90.96 -43.87 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.406 -1.434 . . . . 0.0 110.736 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 32' ' ' ILE . 26.2 mt -60.85 -33.54 73.21 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.888 -1.133 . . . . 0.0 110.963 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.711 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.3 t-80 -72.36 -45.82 58.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.135 . . . . 0.0 110.393 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.39 76.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.045 -1.034 . . . . 0.0 110.469 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -61.86 -53.75 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.895 -1.128 . . . . 0.0 110.951 -178.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.833 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 13.9 m-85 -96.86 43.98 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.888 -1.132 . . . . 0.0 111.275 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.5 t -114.53 -55.17 2.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.778 -1.201 . . . . 0.0 109.737 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -37.54 62.56 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.931 -1.106 . . . . 0.0 110.093 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -54.93 -62.25 1.78 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.917 -1.114 . . . . 0.0 109.892 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.93 -137.86 3.43 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.44 135.95 53.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.264 . . . . 0.0 109.505 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.711 HD12 ' CD2' ' A' ' 30' ' ' HIS . 67.6 mt -99.35 118.1 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.09 -1.006 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD23 HD12 ' A' ' 92' ' ' ILE . 1.9 tp -69.98 -41.67 74.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.052 -1.03 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -177.09 154.57 1.08 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mt -117.97 156.23 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.083 -1.011 . . . . 0.0 108.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -126.37 125.47 42.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.967 -1.083 . . . . 0.0 109.956 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.14 138.78 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.138 -0.976 . . . . 0.0 109.035 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -127.72 164.2 22.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.948 -1.095 . . . . 0.0 109.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -127.44 40.24 3.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.091 -1.006 . . . . 0.0 109.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 t -86.14 159.33 19.55 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.946 -1.096 . . . . 0.0 108.781 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 tt -49.43 -36.29 21.87 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.89 -1.131 . . . . 0.0 110.591 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.71 -30.22 16.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.006 -1.059 . . . . 0.0 110.469 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 19.8 mtp -106.26 39.78 1.74 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.771 -1.206 . . . . 0.0 110.709 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.22 37.3 1.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.769 -1.207 . . . . 0.0 110.281 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 48.41 0.11 Allowed Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -171.08 156.81 4.94 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -1.199 . . . . 0.0 110.009 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -151.94 148.82 28.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.914 -1.116 . . . . 0.0 110.273 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.58 118.6 36.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 108.936 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -98.31 130.13 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.944 -1.097 . . . . 0.0 109.563 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.942 HG21 HD11 ' A' ' 92' ' ' ILE . 24.7 mt -114.96 142.36 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 108.825 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 28.1 m-85 -117.74 150.88 38.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.933 -1.104 . . . . 0.0 109.643 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -50.87 -39.31 53.63 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.945 -1.097 . . . . 0.0 109.754 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -116.85 176.61 5.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.963 -1.085 . . . . 0.0 109.399 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG22 ' ND1' ' A' ' 9' ' ' HIS . 26.5 t -88.41 -35.57 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.965 -1.085 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.2 p -58.41 -35.94 72.81 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.903 -1.123 . . . . 0.0 110.252 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -62.19 -37.78 86.61 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.749 -1.219 . . . . 0.0 110.139 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.52 61.92 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.925 -1.11 . . . . 0.0 109.606 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 24.2 m -69.45 -36.93 77.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.138 . . . . 0.0 109.823 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -70.51 -41.97 71.92 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.989 -1.069 . . . . 0.0 108.884 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.94 -38.69 70.64 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.038 -1.039 . . . . 0.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.69 -33.82 69.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.999 -1.063 . . . . 0.0 110.37 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -94.09 56.66 2.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.813 -1.179 . . . . 0.0 109.445 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -144.75 -60.45 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.148 -0.97 . . . . 0.0 109.245 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.8 mmm -111.02 39.59 2.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.071 -1.018 . . . . 0.0 109.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.7 111.87 1.13 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.952 -1.092 . . . . 0.0 109.136 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.25 63.66 4.36 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.34 166.15 31.35 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.035 -1.273 . . . . 0.0 109.756 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.14 123.88 6.37 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.951 1.767 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 20.0 t80 -126.2 -59.85 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.1 -1.0 . . . . 0.0 109.179 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.675 ' CE2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-85 -108.71 61.77 0.6 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.341 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.05 41.33 17.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.001 -1.062 . . . . 0.0 109.539 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 179.49 160.99 0.78 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.918 -1.114 . . . . 0.0 110.206 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.33 146.47 28.12 Favored 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.728 1.619 . . . . 0.0 110.213 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -147.16 137.34 23.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.078 . . . . 0.0 110.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -103.9 150.68 23.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.155 -0.966 . . . . 0.0 109.011 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.67 137.65 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.045 . . . . 0.0 110.101 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.19 135.54 27.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.146 -0.971 . . . . 0.0 108.777 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 14.4 m-85 -51.71 171.03 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 109.615 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.94 173.54 10.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.014 -1.054 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -86.61 -48.05 8.66 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.027 -1.045 . . . . 0.0 109.306 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.0 p -111.28 176.66 4.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.968 -1.083 . . . . 0.0 109.371 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -79.27 175.41 10.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 m -97.24 147.82 23.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 109.369 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.69 -25.62 49.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.028 -1.045 . . . . 0.0 110.758 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -58.0 -23.29 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.594 -1.316 . . . . 0.0 109.497 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.393 -1.442 . . . . 0.0 108.089 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 110.489 -0.62 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.727 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -130.07 -171.93 2.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.04 -39.54 11.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -103.35 156.64 17.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.718 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.771 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 25.3 pt -116.55 161.13 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.157 -0.964 . . . . 0.0 108.775 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 83' ' ' ILE . 70.8 t80 -128.01 149.44 50.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 109.721 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.28 146.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 108.847 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.9 p-10 -145.86 -174.99 4.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.983 -1.073 . . . . 0.0 109.726 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 66.07 41.83 3.46 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.87 -1.144 . . . . 0.0 109.397 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mt -104.61 142.35 34.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.056 -1.027 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.813 ' OD1' HD11 ' A' ' 20' ' ' ILE . 34.0 p-10 -55.25 153.15 7.31 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.07 -1.019 . . . . 0.0 109.482 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -99.78 59.04 1.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.883 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -152.35 37.17 0.53 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.975 -1.078 . . . . 0.0 109.927 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.813 HD11 ' OD1' ' A' ' 17' ' ' ASN . 3.7 mt -111.85 156.07 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.912 -1.118 . . . . 0.0 110.379 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 20' ' ' ILE . 6.2 mtpp -95.81 -177.76 4.15 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -82.7 -37.76 24.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.837 -1.164 . . . . 0.0 109.959 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.78 -22.72 58.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.068 -1.02 . . . . 0.0 109.619 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 2.8 tp10 -81.63 -42.58 19.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.711 -1.243 . . . . 0.0 110.064 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.9 tp -75.19 -19.89 59.59 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 110.772 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -86.09 -32.78 21.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.568 -1.332 . . . . 0.0 109.533 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -75.62 -29.8 59.33 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.789 -1.195 . . . . 0.0 110.286 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 m -87.11 -34.92 18.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 32' ' ' ILE . 39.3 mt -73.23 -56.06 5.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.715 -1.241 . . . . 0.0 109.615 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 3.3 t-80 -53.35 -28.43 28.81 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.113 -0.992 . . . . 0.0 110.711 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -68.39 0.58 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.284 . . . . 0.0 109.921 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.75 -59.28 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.129 -0.982 . . . . 0.0 112.28 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 35.2 m-85 -61.79 -36.51 81.3 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.696 -1.252 . . . . 0.0 110.368 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -54.56 -34.84 62.56 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.776 -1.202 . . . . 0.0 110.573 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -46.28 69.96 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.615 -1.303 . . . . 0.0 109.952 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 97.4 m-85 -55.06 -61.09 2.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.939 -1.101 . . . . 0.0 109.789 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.28 -133.45 2.21 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -110.97 136.4 50.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.026 -1.279 . . . . 0.0 109.448 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 34' ' ' SER . 40.2 mt -101.77 122.41 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.999 -1.063 . . . . 0.0 109.156 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.788 HD23 ' CD1' ' A' ' 92' ' ' ILE . 1.5 tp -68.97 -39.8 79.24 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.016 -1.053 . . . . 0.0 109.498 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -175.63 153.3 1.42 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.41 157.21 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.095 -1.003 . . . . 0.0 108.756 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -133.94 133.95 42.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.91 -1.119 . . . . 0.0 110.006 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 44' ' ' VAL . 18.6 m -142.91 122.55 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.024 . . . . 0.0 109.122 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -122.07 179.59 4.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -133.02 37.93 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.4 p -92.39 -173.26 3.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.96 -1.087 . . . . 0.0 109.206 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -50.94 25.25 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.901 -1.124 . . . . 0.0 109.875 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.66 -38.28 90.46 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.969 -1.082 . . . . 0.0 109.967 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 59.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.55 124.29 47.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.949 -1.095 . . . . 0.0 109.271 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.21 38.27 30.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 pt20 -160.99 161.6 31.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.97 -1.312 . . . . 0.0 110.168 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.19 35.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.996 -1.065 . . . . 0.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.95 144.86 39.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.401 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 33' ' ' PHE . 29.4 t -135.09 106.39 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.957 -1.089 . . . . 0.0 109.516 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.79 121.56 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 109.453 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 80.3 m-85 -95.45 142.85 27.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 0.0 109.231 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -50.61 -38.05 43.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.994 -1.066 . . . . 0.0 110.198 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 151.96 40.07 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.883 -1.136 . . . . 0.0 109.797 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.8 t -63.23 -37.58 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.072 -1.018 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 p -60.45 -31.79 70.77 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.011 -1.056 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.39 -35.16 79.48 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.679 -1.263 . . . . 0.0 110.522 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.771 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.95 -31.5 50.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.777 -1.202 . . . . 0.0 109.892 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.469 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 6.3 m -63.32 -39.78 95.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.846 -1.158 . . . . 0.0 109.598 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -73.49 -37.19 65.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.028 -1.045 . . . . 0.0 109.33 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.51 -17.75 64.79 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.86 -1.15 . . . . 0.0 110.64 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 83' ' ' ILE . 1.2 tp -87.89 -57.27 3.0 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.422 -1.423 . . . . 0.0 110.132 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -53.91 -40.42 66.67 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.942 -1.099 . . . . 0.0 110.147 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -71.84 -36.7 70.26 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.015 -1.053 . . . . 0.0 109.989 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.57 35.33 2.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.93 93.89 3.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.887 -1.133 . . . . 0.0 108.725 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.62 62.93 2.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -124.87 162.54 42.67 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.054 -1.262 . . . . 0.0 109.584 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.0 Cg_endo -77.55 135.65 14.85 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.833 1.689 . . . . 0.0 110.412 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.4 t80 -134.15 -59.99 0.82 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.144 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.573 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.1 m-85 -115.91 70.2 0.75 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.103 -0.998 . . . . 0.0 109.666 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 57.33 40.4 27.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.041 -1.037 . . . . 0.0 109.773 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.51 151.39 0.53 Allowed Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 120.935 -1.103 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.18 150.94 29.74 Favored 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.711 1.607 . . . . 0.0 109.848 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.78 139.12 17.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.956 -1.09 . . . . 0.0 110.296 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 141.59 35.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.207 -0.933 . . . . 0.0 108.873 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 68' ' ' LEU . 54.7 mt -105.0 138.9 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.032 -1.042 . . . . 0.0 109.894 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.03 135.25 48.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 108.615 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 22.3 m-85 -49.89 132.53 22.61 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.877 -1.14 . . . . 0.0 109.974 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.46 173.43 0.05 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.024 -1.047 . . . . 0.0 109.68 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.46 -42.2 11.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.088 -1.007 . . . . 0.0 109.402 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -103.4 179.38 4.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.029 -1.045 . . . . 0.0 109.6 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.18 172.91 6.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.978 -1.077 . . . . 0.0 109.438 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.442 ' OG ' HG12 ' A' ' 93' ' ' ILE . 2.5 p -75.59 136.1 40.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.067 -1.021 . . . . 0.0 109.672 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.7 -28.3 36.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.09 -1.006 . . . . 0.0 110.285 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.788 ' CD1' HD23 ' A' ' 40' ' ' LEU . 1.2 pp -57.1 -25.34 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.578 -1.326 . . . . 0.0 109.64 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.515 -1.365 . . . . 0.0 107.58 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.537 0.657 0 N-CA-C 110.302 -0.691 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -99.63 -170.74 1.94 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.007 -1.058 . . . . 0.0 109.313 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.39 33.94 2.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.896 -1.128 . . . . 0.0 110.042 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' VAL . 85.2 m -167.98 127.03 1.25 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.89 -1.131 . . . . 0.0 109.965 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.638 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.8 pt -92.17 172.38 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.971 -1.081 . . . . 0.0 109.166 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 53' ' ' GLN . 27.2 t80 -131.76 143.71 50.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.984 -1.073 . . . . 0.0 110.051 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 29' ' ' LEU . 3.2 mt -124.79 146.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 108.915 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.87 -179.12 5.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.061 -1.024 . . . . 0.0 109.841 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m120 57.23 50.2 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 0.0 109.903 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 53' ' ' GLN . 38.6 mt -93.45 -177.74 4.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.937 -1.102 . . . . 0.0 109.251 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.8 150.25 22.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.754 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.29 38.69 2.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -115.36 -57.47 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.941 -1.099 . . . . 0.0 109.315 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.018 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.6 mp -55.52 155.98 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.188 -0.945 . . . . 0.0 108.735 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.53 -168.53 1.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.54 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -83.97 -35.18 24.14 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.903 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -68.92 -38.01 79.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 6.4 mm-40 -72.27 -43.57 64.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.112 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -50.7 -44.39 58.03 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.109 -0.995 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -41.88 98.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.978 -1.076 . . . . 0.0 109.639 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.448 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -74.74 -50.49 17.23 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.659 -1.276 . . . . 0.0 110.639 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 13' ' ' ILE . 55.4 mt -56.44 -25.88 52.0 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.956 -1.09 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -83.61 -31.93 26.0 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.558 -1.339 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.3 72.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.757 -1.214 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.685 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -85.68 -53.07 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.837 -1.165 . . . . 0.0 110.915 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 41.7 m-85 -67.96 -14.74 63.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.951 -1.093 . . . . 0.0 112.113 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 t -79.85 -34.71 39.08 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.286 -1.509 . . . . 0.0 110.751 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -49.36 -31.14 8.77 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.677 -1.265 . . . . 0.0 110.954 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -71.52 -56.88 5.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.649 -1.282 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.07 -123.37 1.1 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.77 141.76 50.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.996 -1.296 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.36 115.24 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.541 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 59' ' ' LYS . 95.7 mt -59.12 -42.36 90.39 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -176.74 159.04 1.75 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.37 122.36 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.023 -1.048 . . . . 0.0 109.137 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.18 130.02 44.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.971 -1.081 . . . . 0.0 109.784 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.91 160.71 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.021 -1.049 . . . . 0.0 108.624 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.0 m -127.51 114.88 18.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.915 -1.116 . . . . 0.0 109.764 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -97.93 -29.97 13.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.033 -1.042 . . . . 0.0 111.028 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -48.22 170.51 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.644 -1.285 . . . . 0.0 110.517 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -52.12 11.02 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.029 -1.044 . . . . 0.0 109.759 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -50.39 -37.19 36.2 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.958 -1.089 . . . . 0.0 110.16 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.6 mtp -113.42 57.35 0.68 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.979 -1.076 . . . . 0.0 109.052 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -105.21 157.74 17.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 0.0 109.676 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.01 34.83 73.75 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' N ' HD12 ' A' ' 16' ' ' LEU . 18.1 pt20 -155.4 174.81 14.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.881 -1.364 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 171.86 11.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -131.57 130.31 42.09 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.004 -1.06 . . . . 0.0 108.932 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 10' ' ' THR . 25.7 t -113.34 141.54 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.88 -1.138 . . . . 0.0 109.653 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' ILE . 10.5 mt -119.55 125.63 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 109.263 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.38 150.51 23.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.066 . . . . 0.0 109.532 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' A' ' 40' ' ' LEU . 15.2 tttt -61.68 -42.66 99.24 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.019 -1.051 . . . . 0.0 108.98 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.13 145.29 38.86 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.158 -0.964 . . . . 0.0 109.195 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.58 -37.52 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.992 -1.068 . . . . 0.0 109.793 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -33.19 70.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.992 -1.068 . . . . 0.0 110.396 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 m -60.34 -39.92 88.82 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.669 -1.269 . . . . 0.0 109.796 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.95 -27.34 61.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.929 -1.107 . . . . 0.0 109.58 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.55 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -68.01 -32.61 73.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.874 -1.141 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.01 -39.04 43.39 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.716 -1.24 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.57 80.35 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.939 -1.101 . . . . 0.0 109.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -39.07 64.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.908 -1.12 . . . . 0.0 109.853 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HD2' HG22 ' A' ' 65' ' ' THR . 5.0 mtp180 -75.4 -8.55 56.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.929 -1.107 . . . . 0.0 111.465 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t -120.16 17.47 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.314 -1.491 . . . . 0.0 110.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.73 40.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.506 -1.371 . . . . 0.0 109.578 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.46 117.69 20.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.093 -1.005 . . . . 0.0 109.183 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.82 60.1 9.54 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -118.7 155.97 52.0 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.183 -1.186 . . . . 0.0 109.522 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.55 130.8 11.03 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.837 1.691 . . . . 0.0 110.147 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' HD11 ' A' ' 32' ' ' ILE . 16.3 t80 -125.83 -63.51 1.12 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.034 -1.041 . . . . 0.0 109.061 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 1.018 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.3 m-85 -115.6 67.23 0.7 Allowed 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.129 -0.982 . . . . 0.0 109.436 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 59.28 40.96 20.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.549 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -176.45 155.9 1.43 Allowed Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.005 -1.06 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -77.88 142.85 20.3 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.827 1.685 . . . . 0.0 110.043 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.6 141.89 27.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 110.097 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -107.54 147.04 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.042 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.14 138.4 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.091 -1.006 . . . . 0.0 110.006 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 140.18 35.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 108.73 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 15.6 m-85 -52.26 169.47 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.742 -1.224 . . . . 0.0 109.538 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.55 177.56 6.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.041 -1.037 . . . . 0.0 109.317 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -89.42 -45.85 9.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.03 -1.044 . . . . 0.0 109.4 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 p -103.9 179.27 4.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.273 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.45 171.78 9.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.082 . . . . 0.0 109.343 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -76.35 144.7 39.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.024 -1.048 . . . . 0.0 109.235 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.47 -30.29 30.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 110.312 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 57' ' ' ILE . 1.4 pp -56.6 -26.48 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.557 -1.34 . . . . 0.0 109.418 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.537 0.629 0 N-CA-C 110.334 -0.679 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -134.06 -69.83 0.53 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.836 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER 171.51 -45.57 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.9 m -103.23 129.5 50.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.538 -0.726 . . . . 0.0 109.553 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' A' ' 64' ' ' ALA . 8.0 pt -89.81 164.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.132 -0.98 . . . . 0.0 108.992 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 68.1 t80 -138.02 117.41 12.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.62 HD11 ' CE2' ' A' ' 33' ' ' PHE . 5.5 mt -91.31 155.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.027 -1.046 . . . . 0.0 109.424 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -142.6 175.71 9.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.97 -1.081 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 58.91 55.83 4.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 0.0 109.377 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.62 -174.21 2.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.074 -1.016 . . . . 0.0 109.305 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -91.71 152.38 20.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.004 -1.06 . . . . 0.0 108.942 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.45 39.25 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.0 110.072 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -148.57 33.88 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.985 -1.072 . . . . 0.0 110.223 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.862 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.9 mm -103.36 153.84 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.882 -1.136 . . . . 0.0 109.79 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -86.83 -176.16 5.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 108.653 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -87.64 -39.74 14.78 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.904 -1.123 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.67 -29.16 58.97 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 43.2 mm-40 -72.15 -47.53 50.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.127 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.824 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -66.05 -33.06 74.93 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.883 -1.136 . . . . 0.0 110.481 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.83 -23.75 58.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.81 -1.181 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -78.76 -32.97 46.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.506 -1.371 . . . . 0.0 109.955 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 50.4 m -76.7 -38.24 54.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.754 -1.216 . . . . 0.0 110.227 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 32' ' ' ILE . 10.5 mt -70.98 -41.07 71.48 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.907 -1.121 . . . . 0.0 109.717 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.79 -32.11 65.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.1 -1.0 . . . . 0.0 110.246 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.03 -69.22 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.892 -1.13 . . . . 0.0 110.173 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.1 -61.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 112.353 -178.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 56' ' ' VAL . 32.4 m-85 -61.64 -32.27 72.42 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.706 -1.246 . . . . 0.0 111.136 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.7 t -60.78 -33.36 72.85 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.616 -1.302 . . . . 0.0 110.592 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -48.02 -36.96 13.75 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.729 -1.232 . . . . 0.0 110.932 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.08 71.22 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.946 -1.096 . . . . 0.0 110.194 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.67 -151.83 19.03 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -123.23 149.07 45.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.086 -1.243 . . . . 0.0 109.399 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 34' ' ' SER . 30.0 mt -99.56 130.56 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.08 -1.012 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.68 -41.44 23.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.001 -1.062 . . . . 0.0 109.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -166.52 157.44 12.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.095 -1.003 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.24 121.81 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 0.0 109.034 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.85 130.69 48.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.054 -1.029 . . . . 0.0 109.991 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.89 136.53 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.131 -0.98 . . . . 0.0 108.881 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -133.47 159.97 38.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.961 -1.087 . . . . 0.0 109.973 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -129.76 38.35 3.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.004 . . . . 0.0 109.623 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -89.17 166.52 13.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.928 -1.107 . . . . 0.0 108.83 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -40.83 76.25 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.879 -1.138 . . . . 0.0 109.663 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -72.84 -39.9 66.16 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.06 -1.025 . . . . 0.0 109.66 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.93 56.64 1.72 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.96 -1.088 . . . . 0.0 109.394 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.68 129.29 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.97 -1.081 . . . . 0.0 109.459 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.94 41.11 41.98 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 pt20 -162.11 153.47 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.03 -1.276 . . . . 0.0 110.028 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.2 170.43 15.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.001 -1.062 . . . . 0.0 109.801 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -130.08 134.9 47.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.089 -1.007 . . . . 0.0 109.19 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.676 HG21 ' CE2' ' A' ' 33' ' ' PHE . 61.8 t -130.26 148.34 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.965 -1.085 . . . . 0.0 109.525 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.875 HD13 ' CD1' ' A' ' 92' ' ' ILE . 9.8 mt -125.48 146.95 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.105 -0.997 . . . . 0.0 108.907 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 59.0 m-85 -119.88 154.36 34.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.996 -1.065 . . . . 0.0 109.522 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -53.11 -40.64 64.32 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.007 -1.058 . . . . 0.0 109.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.44 177.03 6.41 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.134 -0.979 . . . . 0.0 109.492 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' ND1' ' A' ' 9' ' ' HIS . 41.1 t -79.84 -37.51 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.044 -1.035 . . . . 0.0 109.817 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.3 p -59.64 -35.9 75.32 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.971 -1.081 . . . . 0.0 110.285 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.448 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 3.5 m -59.39 -37.99 79.37 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.85 -1.156 . . . . 0.0 110.199 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.12 -28.91 61.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.881 -1.137 . . . . 0.0 109.524 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.534 HG23 ' OH ' ' A' ' 85' ' ' TYR . 5.4 m -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.916 -1.115 . . . . 0.0 109.388 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.66 -42.49 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.982 -1.074 . . . . 0.0 108.862 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.28 46.25 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.086 -1.008 . . . . 0.0 110.203 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.854 HD12 HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -79.47 -37.72 36.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.74 -1.225 . . . . 0.0 109.801 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -94.57 56.2 2.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.863 -1.148 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 m -154.11 -58.38 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.138 -0.977 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 80.6 mtp -106.38 37.58 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.074 -1.016 . . . . 0.0 109.458 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.75 98.95 0.06 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.94 -1.1 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.17 62.67 1.79 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.4 m-85 -112.44 163.56 17.51 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.205 -1.174 . . . . 0.0 109.893 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.66 124.45 6.32 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.916 1.744 . . . . 0.0 110.766 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -137.85 109.84 7.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.993 -1.067 . . . . 0.0 108.77 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.862 ' CD2' HD12 ' A' ' 20' ' ' ILE . 71.4 m-85 72.81 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 117.859 0.299 . . . . 0.0 110.419 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -154.9 47.59 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.572 -1.33 . . . . 0.0 110.355 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 179.84 153.44 0.62 Allowed Pre-proline 0 N--CA 1.5 2.055 0 O-C-N 120.98 -1.075 . . . . 0.0 110.2 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.03 146.75 25.98 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.728 1.618 . . . . 0.0 109.986 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -139.33 127.61 22.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.908 -1.12 . . . . 0.0 110.269 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -94.99 153.87 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.854 HG22 HD12 ' A' ' 68' ' ' LEU . 57.9 mt -110.91 135.48 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.019 . . . . 0.0 110.84 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.466 ' CA ' HD11 ' A' ' 68' ' ' LEU . 23.2 pt20 -145.08 136.33 25.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' OH ' HG23 ' A' ' 65' ' ' THR . 14.7 m-85 -46.83 167.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.962 -1.087 . . . . 0.0 110.928 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.56 -169.71 2.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.159 -0.963 . . . . 0.0 109.424 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -90.89 -46.7 8.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.968 -1.083 . . . . 0.0 109.061 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -124.97 -179.39 4.53 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.46 -176.01 4.03 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.459 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 13.7 t -99.35 153.55 18.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.939 -1.101 . . . . 0.0 109.679 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -76.14 -28.63 57.48 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.038 -1.039 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' A' ' 57' ' ' ILE . 33.6 pt -60.26 -23.45 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.649 -1.282 . . . . 0.0 109.48 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.797 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.936 0 O-C-N 120.597 -1.314 . . . . 0.0 107.789 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.535 0.543 0 N-CA-C 110.666 -0.551 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -135.97 -66.71 0.54 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.174 -0.954 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.44 -45.03 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.291 -0.881 . . . . 0.0 108.674 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -106.17 157.74 17.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.444 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' HB1' ' A' ' 64' ' ' ALA . 31.8 pt -116.15 163.68 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 83' ' ' ILE . 93.6 t80 -122.74 120.05 32.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.136 -0.977 . . . . 0.0 110.554 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.598 ' CG2' HD11 ' A' ' 16' ' ' LEU . 5.9 mt -96.66 137.33 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.037 -1.039 . . . . 0.0 108.498 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -133.44 160.89 36.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 109.648 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.15 49.42 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.141 . . . . 0.0 109.311 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.701 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.2 mp -85.07 -174.98 5.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.178 -0.951 . . . . 0.0 108.982 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 157.84 20.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.88 40.55 1.36 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -154.3 40.72 0.48 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.425 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 77' ' ' TYR . 4.2 mt -102.02 154.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 108.875 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -115.72 31.17 6.88 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.097 -1.041 . . . . 0.0 112.471 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.75 -73.28 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 O-C-N 121.422 -0.799 . . . . 0.0 112.07 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.27 -27.48 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.624 -1.298 . . . . 0.0 109.364 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 5.1 tt0 -71.14 -41.93 69.82 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.31 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD21 ' CD2' ' A' ' 16' ' ' LEU . 4.9 tp -69.24 -20.71 63.95 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.027 -1.046 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -86.25 -28.9 23.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.531 -1.356 . . . . 0.0 110.101 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -77.57 -29.7 52.27 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.005 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 54.8 m -87.59 -37.51 16.76 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.794 -1.191 . . . . 0.0 110.221 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 25' ' ' LEU . 86.4 mt -71.96 -53.77 12.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.857 -1.152 . . . . 0.0 109.488 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -53.35 -27.86 25.75 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.213 -0.929 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.19 -69.89 0.54 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.681 -1.262 . . . . 0.0 110.172 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.92 -60.07 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.031 -1.043 . . . . 0.0 112.017 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 32' ' ' ILE . 87.8 m-85 -59.28 -36.91 76.41 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.786 -1.196 . . . . 0.0 110.601 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -54.42 -37.92 65.67 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.783 -1.198 . . . . 0.0 110.449 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -51.19 -45.91 61.96 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.74 -1.225 . . . . 0.0 110.341 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 98.6 m-85 -57.28 -59.67 4.78 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.077 -1.015 . . . . 0.0 109.797 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 -126.95 1.63 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.68 138.01 54.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.298 . . . . 0.0 109.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -101.35 126.11 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 0.0 109.23 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HB2' ' A' ' 59' ' ' LYS . 3.0 tp -78.08 -40.48 38.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.038 -1.038 . . . . 0.0 109.509 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.73 141.86 0.87 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.082 -1.012 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 56' ' ' VAL . 41.6 mt -113.64 128.67 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -100.41 127.58 46.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.067 -1.021 . . . . 0.0 109.637 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.94 134.14 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 163.42 25.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.834 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -135.92 40.03 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 109.557 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 p -91.53 162.05 14.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 109.379 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.94 -38.88 73.54 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.988 -1.07 . . . . 0.0 110.005 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -75.86 -37.47 58.9 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.889 -1.132 . . . . 0.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtp -104.41 60.47 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.908 -1.12 . . . . 0.0 109.323 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -109.83 139.79 44.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.038 -1.039 . . . . 0.0 109.567 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.78 37.58 84.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -166.03 142.38 5.08 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.939 -1.33 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.57 -171.23 3.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.977 -1.077 . . . . 0.0 109.887 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 27.8 m-85 -140.42 142.37 35.44 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 42' ' ' ILE . 17.3 t -125.65 109.21 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.944 -1.098 . . . . 0.0 109.404 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 92' ' ' ILE . 23.4 mt -89.99 133.99 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.963 -1.086 . . . . 0.0 109.556 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.02 137.57 51.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.154 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 40' ' ' LEU . 2.3 ttpm? -49.49 -38.25 29.39 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.079 -1.013 . . . . 0.0 109.915 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -112.8 153.46 27.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.005 -1.059 . . . . 0.0 109.359 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.39 -37.28 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.954 -1.091 . . . . 0.0 109.761 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 p -60.57 -29.87 69.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.985 -1.072 . . . . 0.0 110.492 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -35.03 79.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.59 -30.14 56.85 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.739 -1.225 . . . . 0.0 109.677 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.51 HG23 ' OH ' ' A' ' 85' ' ' TYR . 39.5 m -70.23 -31.24 68.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -78.76 -38.68 38.03 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.788 -1.195 . . . . 0.0 109.37 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 36' ' ' PHE . . . -65.36 -29.11 69.8 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.935 -1.103 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -82.91 -35.63 25.94 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.691 -1.255 . . . . 0.0 110.555 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -65.69 -36.87 84.86 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.866 -1.146 . . . . 0.0 110.465 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -85.29 -29.59 24.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.966 -1.084 . . . . 0.0 110.776 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.57 36.58 2.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.727 -1.233 . . . . 0.0 109.928 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.02 93.62 5.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.95 -1.094 . . . . 0.0 109.104 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.11 61.13 2.05 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -127.14 161.7 52.51 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.065 -1.256 . . . . 0.0 109.404 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.1 139.32 16.96 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.844 1.696 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 43.9 t80 -135.03 -60.89 0.76 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.007 -1.058 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.0 m-85 -113.51 66.61 0.66 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.08 -1.013 . . . . 0.0 109.82 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.9 42.21 13.3 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.997 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.42 154.79 0.53 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.882 -1.136 . . . . 0.0 110.217 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.78 148.45 25.48 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.932 1.755 . . . . 0.0 109.993 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -155.03 138.87 16.24 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.947 -1.096 . . . . 0.0 110.374 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -108.75 147.62 31.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.083 -1.01 . . . . 0.0 108.889 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG22 HD11 ' A' ' 68' ' ' LEU . 32.6 mt -116.32 146.3 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.044 . . . . 0.0 110.37 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -142.23 139.54 32.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 108.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' OH ' HG23 ' A' ' 65' ' ' THR . 22.0 m-85 -45.92 138.94 4.61 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.058 -1.026 . . . . 0.0 110.792 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.57 -171.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -81.78 -49.64 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.954 -1.092 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 p -119.56 179.62 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.974 -1.079 . . . . 0.0 109.833 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.04 -173.03 1.16 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.083 -1.01 . . . . 0.0 109.089 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -95.82 157.48 15.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.23 -31.03 17.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.09 -1.006 . . . . 0.0 110.35 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -57.52 -28.55 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.659 -1.276 . . . . 0.0 110.624 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.505 2.304 0 O-C-N 120.455 -1.403 . . . . 0.0 109.307 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.5 Cg_endo . . . . . 0 CA--C 1.537 0.659 0 N-CA-C 110.308 -0.689 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.768 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m-80 -100.67 -175.84 3.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.025 . . . . 0.0 109.547 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.43 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t60 -90.99 -39.39 12.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.065 -1.022 . . . . 0.0 109.629 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 56' ' ' VAL . 82.5 m -104.85 140.35 38.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.928 -1.107 . . . . 0.0 109.718 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.3 pt -97.24 168.23 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.992 . . . . 0.0 109.084 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 30.8 t80 -142.15 122.93 14.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.106 -0.996 . . . . 0.0 109.084 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.683 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.8 mt -96.2 153.19 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.011 -1.056 . . . . 0.0 109.242 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -142.1 173.12 11.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.982 -1.074 . . . . 0.0 109.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.38 53.22 5.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.991 -1.068 . . . . 0.0 109.222 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 13' ' ' ILE . 49.1 mt -94.27 -174.58 3.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.996 -1.065 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.654 ' HB3' HD11 ' A' ' 20' ' ' ILE . 4.1 t30 -85.82 149.54 25.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.989 -1.069 . . . . 0.0 109.419 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -102.35 38.43 1.69 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.065 -1.022 . . . . 0.0 109.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -151.74 36.56 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.934 -1.104 . . . . 0.0 109.988 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.917 HD12 ' CD2' ' A' ' 77' ' ' TYR . 6.7 mm -103.52 158.92 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.042 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -83.5 179.99 7.5 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -83.29 -41.91 17.75 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 108.899 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.96 -16.38 60.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.137 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.666 ' HB3' HG22 ' A' ' 20' ' ' ILE . 3.6 tp10 -81.7 -43.19 18.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.665 -1.272 . . . . 0.0 110.219 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 29' ' ' LEU . 6.1 mt -69.59 -38.21 77.23 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 118.602 -1.239 . . . . 0.0 109.876 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.13 -29.96 63.26 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.895 -1.128 . . . . 0.0 110.568 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -75.62 -26.81 58.12 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.691 -1.256 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -36.2 24.14 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.5 mt -70.66 -41.61 71.88 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.839 -1.163 . . . . 0.0 109.241 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -65.17 -28.25 69.27 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.065 -1.022 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.6 -69.78 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.635 -1.29 . . . . 0.0 109.655 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -59.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.985 -1.072 . . . . 0.0 111.712 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -58.7 -32.85 69.54 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.693 -1.254 . . . . 0.0 111.263 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -63.18 -34.69 78.18 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.657 -1.277 . . . . 0.0 111.151 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -49.96 -30.46 10.45 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.627 -1.295 . . . . 0.0 111.07 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 38.2 m-85 -81.05 -51.8 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.735 -1.228 . . . . 0.0 109.381 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 -175.7 26.06 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.89 143.81 39.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.069 -1.254 . . . . 0.0 109.491 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.6 mt -104.47 117.18 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 109.274 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' LYS . 7.0 mp -58.52 -42.88 88.73 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.036 -1.04 . . . . 0.0 109.587 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.51 163.39 5.43 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.108 -0.995 . . . . 0.0 110.525 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.4 mt -139.4 139.05 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.195 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -124.87 145.95 49.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.932 -1.105 . . . . 0.0 109.694 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.45 129.77 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.115 -0.991 . . . . 0.0 109.367 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -100.64 164.46 11.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.997 -1.064 . . . . 0.0 109.697 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -150.03 37.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 110.107 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 p -92.5 170.22 9.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.95 -1.094 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -49.34 75.79 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.864 -1.148 . . . . 0.0 109.605 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.063 -1.023 . . . . 0.0 109.868 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 mtp -108.93 65.5 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.868 -1.145 . . . . 0.0 109.703 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -99.14 49.86 0.95 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.119 . . . . 0.0 109.669 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.22 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 16' ' ' LEU . 3.4 pt20 -157.51 175.77 13.52 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.008 -1.289 . . . . 0.0 110.084 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.96 20.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.9 -1.125 . . . . 0.0 110.451 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -132.92 133.3 43.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 109.23 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 10' ' ' THR . 41.0 t -124.04 139.18 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.007 -1.058 . . . . 0.0 109.685 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 92' ' ' ILE . 42.1 mt -114.68 119.68 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.963 -1.086 . . . . 0.0 109.061 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 5.2 m-85 -96.15 155.65 16.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.965 -1.084 . . . . 0.0 109.529 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HA ' HD13 ' A' ' 40' ' ' LEU . 33.7 tttt -54.79 -38.95 67.91 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.981 -1.074 . . . . 0.0 109.909 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -133.91 164.12 28.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.968 -1.082 . . . . 0.0 109.854 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' ASN . 57.7 t -63.95 -36.36 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.112 -0.993 . . . . 0.0 109.843 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 p -61.95 -38.4 88.36 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.021 -1.049 . . . . 0.0 109.817 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.5 m -58.12 -33.61 69.32 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.93 -30.26 50.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.792 -1.192 . . . . 0.0 109.904 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.585 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -62.1 -44.6 96.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.899 -1.126 . . . . 0.0 109.614 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -42.14 72.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.985 -1.072 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -56.83 -25.97 57.27 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.999 -1.063 . . . . 0.0 110.802 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.552 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.52 -31.42 17.64 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.553 -1.342 . . . . 0.0 111.108 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -67.73 -57.53 6.19 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.716 -1.24 . . . . 0.0 109.623 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 59.8 p -64.55 -30.43 71.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.152 -0.968 . . . . 0.0 110.647 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -100.62 32.84 2.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.643 -1.285 . . . . 0.0 110.563 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -77.09 102.23 6.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.844 -1.16 . . . . 0.0 108.269 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.75 71.17 1.08 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -116.65 172.51 3.79 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.081 -1.246 . . . . 0.0 110.014 -179.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.2 Cg_endo -78.38 144.23 20.22 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 121.957 1.771 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -157.58 101.54 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.441 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.917 ' CD2' HD12 ' A' ' 20' ' ' ILE . 84.1 m-85 60.17 51.21 5.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.933 . . . . 0.0 109.933 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 t70 55.3 63.73 2.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.0 110.247 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -178.84 137.69 0.34 Allowed Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 120.907 -1.121 . . . . 0.0 110.243 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.99 132.84 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 C-N-CA 121.539 1.493 . . . . 0.0 109.947 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -139.52 132.38 29.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.994 -1.066 . . . . 0.0 110.151 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 -96.69 151.4 19.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 0.0 108.61 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 HD11 ' A' ' 68' ' ' LEU . 68.8 mt -109.6 136.1 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.035 . . . . 0.0 110.379 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -130.71 140.18 50.33 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.585 ' OH ' HG23 ' A' ' 65' ' ' THR . 10.4 m-85 -50.61 173.99 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.828 -1.17 . . . . 0.0 110.095 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 179.24 5.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.643 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.19 -38.7 16.15 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.072 -1.017 . . . . 0.0 109.685 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.6 p -136.73 179.72 6.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.904 -1.123 . . . . 0.0 110.035 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.53 179.96 2.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.166 -0.959 . . . . 0.0 109.432 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.418 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 0.3 OUTLIER -90.23 171.38 9.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.025 -1.047 . . . . 0.0 109.554 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.54 -29.96 25.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.074 -1.016 . . . . 0.0 110.205 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.806 HD11 HG21 ' A' ' 57' ' ' ILE . 32.9 pt -63.8 -21.84 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.703 -1.248 . . . . 0.0 109.153 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.779 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.571 -1.331 . . . . 0.0 108.103 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 CA--C 1.536 0.61 0 N-CA-C 110.169 -0.743 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.4 m120 -91.31 -176.98 4.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.128 -0.982 . . . . 0.0 109.5 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -38.09 54.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 109.621 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 HG13 ' A' ' 57' ' ' ILE . 87.1 m -103.32 156.28 17.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.931 -1.106 . . . . 0.0 110.102 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.441 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -119.72 146.91 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.0 108.856 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 53' ' ' GLN . 24.3 t80 -121.66 119.91 33.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.4 mt -100.4 150.02 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 109.08 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -129.43 174.23 9.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.074 . . . . 0.0 109.69 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.4 t30 59.29 56.56 3.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.067 -1.021 . . . . 0.0 109.333 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 53' ' ' GLN . 7.7 mp -101.32 43.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.965 -1.084 . . . . 0.0 109.742 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . 30.2 t30 56.29 162.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.126 -0.984 . . . . 0.0 111.023 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.49 50.18 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.948 . . . . 0.0 109.461 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -153.08 37.89 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.974 -1.079 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.9 mm -91.47 154.1 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.061 -1.024 . . . . 0.0 109.449 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.84 28.44 7.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 111.189 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.4 -79.65 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.525 -0.734 . . . . 0.0 111.818 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -26.26 63.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.398 -1.439 . . . . 0.0 108.92 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.4 -41.86 88.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.013 -1.054 . . . . 0.0 109.795 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HB2' HG21 ' A' ' 20' ' ' ILE . 6.7 tp -68.81 -23.01 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.838 -1.164 . . . . 0.0 111.18 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -79.57 -32.76 42.07 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.512 -1.367 . . . . 0.0 110.149 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -35.63 66.05 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.883 -1.135 . . . . 0.0 109.863 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 15.6 m -74.39 -38.16 63.21 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.863 -1.148 . . . . 0.0 109.932 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.77 -34.24 77.4 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.921 -1.112 . . . . 0.0 110.358 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CB ' ' A' ' 34' ' ' SER . 1.9 t-80 -71.77 -19.03 62.08 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.854 -1.154 . . . . 0.0 111.605 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -52.12 5.22 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.336 -1.477 . . . . 0.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -59.75 -48.5 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 110.569 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 33.5 m-85 -92.13 29.26 1.67 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.975 -1.078 . . . . 0.0 112.44 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.4 t -110.66 -54.33 2.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.491 -1.381 . . . . 0.0 109.667 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.19 -34.64 10.38 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.939 -1.101 . . . . 0.0 110.675 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -56.89 -58.21 9.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.805 -1.185 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -107.59 0.35 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -139.85 137.79 35.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.055 -1.262 . . . . 0.0 109.237 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 33' ' ' PHE . 49.1 mt -99.63 115.55 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.996 -1.065 . . . . 0.0 109.622 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.67 -40.5 80.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.063 -1.023 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -171.23 150.03 2.9 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.041 -1.037 . . . . 0.0 110.414 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.4 mt -125.55 114.49 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.978 . . . . 0.0 109.206 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.29 143.43 26.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.07 -1.019 . . . . 0.0 109.719 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.84 131.51 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.073 -1.017 . . . . 0.0 109.039 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -108.11 135.77 48.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 109.825 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -118.83 39.37 3.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 109.559 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -99.61 166.51 11.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.995 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.44 -47.36 84.24 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.923 -1.111 . . . . 0.0 109.5 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -55.82 -39.74 71.79 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.077 . . . . 0.0 109.686 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -113.86 67.8 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.991 -1.068 . . . . 0.0 109.476 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.02 48.17 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.032 -1.042 . . . . 0.0 109.431 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.86 56.27 0.01 OUTLIER Glycine 0 N--CA 1.497 2.723 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.674 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.83 178.47 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.056 -1.261 . . . . 0.0 109.474 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -154.72 156.87 37.17 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -127.41 117.6 22.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.115 -0.991 . . . . 0.0 108.881 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 33' ' ' PHE . 21.3 t -128.27 105.94 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.882 -1.137 . . . . 0.0 109.673 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.691 ' CG2' HD11 ' A' ' 92' ' ' ILE . 2.4 mt -99.76 124.62 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.988 . . . . 0.0 108.911 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.651 ' HD1' ' HB2' ' A' ' 64' ' ' ALA . 88.6 m-85 -92.32 152.48 19.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' CA ' HD13 ' A' ' 40' ' ' LEU . 32.0 tttt -50.08 -39.89 43.78 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.018 -1.051 . . . . 0.0 109.671 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.62 149.77 41.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.054 -1.029 . . . . 0.0 109.178 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 8' ' ' ASN . 7.1 p -62.61 -30.84 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.993 -1.067 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.18 86.29 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.752 -1.218 . . . . 0.0 109.564 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -58.68 -32.97 69.62 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.844 -1.16 . . . . 0.0 110.223 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB2' ' HD1' ' A' ' 58' ' ' PHE . . . -78.53 -29.73 46.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.733 -1.229 . . . . 0.0 109.701 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.476 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -62.39 -37.18 84.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.806 -1.184 . . . . 0.0 110.063 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -81.44 -37.08 28.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.9 -1.125 . . . . 0.0 109.893 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.713 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -61.55 -26.6 68.05 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.775 -1.203 . . . . 0.0 110.909 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.08 -37.19 12.28 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.566 -1.334 . . . . 0.0 110.184 -179.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -57.34 -38.09 73.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.887 -1.133 . . . . 0.0 109.936 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -83.07 -31.18 27.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.926 -1.109 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.5 mtp -102.22 35.83 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.693 -1.255 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.47 92.41 5.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.94 -1.1 . . . . 0.0 109.058 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.86 62.9 1.49 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.0 162.89 44.99 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 120.965 -1.315 . . . . 0.0 109.56 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.43 145.53 21.15 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.894 1.729 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 7.0 t80 -131.75 -60.05 0.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.139 -0.976 . . . . 0.0 109.408 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -119.51 69.07 0.82 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.087 -1.008 . . . . 0.0 109.33 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 60.55 42.59 13.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 109.584 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.03 147.88 1.07 Allowed Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 120.939 -1.1 . . . . 0.0 110.071 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.27 146.57 22.44 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.697 1.598 . . . . 0.0 110.257 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -152.75 139.41 18.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.976 -1.077 . . . . 0.0 110.118 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -99.2 148.67 23.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 108.988 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.955 HG22 HD11 ' A' ' 68' ' ' LEU . 51.2 mt -110.87 141.93 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 110.184 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -138.93 135.05 34.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 108.518 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 63.5 m-85 -48.99 143.32 5.67 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.998 -1.064 . . . . 0.0 110.56 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.29 -176.38 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.067 -1.021 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -92.67 -48.95 6.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 109.527 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.2 p -108.88 179.4 4.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.081 -1.012 . . . . 0.0 109.44 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.63 174.44 8.88 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.287 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.459 ' OG ' HG21 ' A' ' 57' ' ' ILE . 3.9 p -100.29 151.18 21.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.073 -1.017 . . . . 0.0 109.682 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.06 -1.92 54.0 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.983 . . . . 0.0 111.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 57' ' ' ILE . 1.6 pt -68.41 -28.8 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.175 -1.578 . . . . 0.0 109.794 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.174 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.7 Cg_endo . . . . . 0 CA--C 1.539 0.736 0 N-CA-C 110.436 -0.64 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -113.88 41.18 2.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.094 -1.004 . . . . 0.0 109.285 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' H ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-160 56.11 25.97 9.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.073 -1.017 . . . . 0.0 110.68 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 56' ' ' VAL . 65.4 m -169.55 139.18 2.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.741 -1.225 . . . . 0.0 109.719 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.528 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.0 pt -110.82 169.25 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.934 -1.103 . . . . 0.0 109.077 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -135.52 123.67 22.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.139 -0.975 . . . . 0.0 109.709 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.656 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.9 mt -95.85 148.0 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -148.55 170.4 18.16 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.994 -1.067 . . . . 0.0 109.832 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 61.56 54.81 2.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.096 -1.002 . . . . 0.0 109.755 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' CG2' ' A' ' 13' ' ' ILE . 23.2 mt -106.96 -173.4 2.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.954 -1.092 . . . . 0.0 109.24 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.667 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -84.51 150.51 25.21 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.878 -1.139 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -103.25 40.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.11 -0.994 . . . . 0.0 109.833 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -150.97 36.16 0.61 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.038 -1.039 . . . . 0.0 110.051 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -110.77 157.31 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.965 -1.084 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' ILE . 18.1 mtpp -89.5 -180.0 5.94 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.119 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -36.02 27.38 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.957 -1.089 . . . . 0.0 110.054 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.68 -26.19 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -76.76 -46.65 24.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.789 -1.195 . . . . 0.0 109.999 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tp -71.35 -22.86 61.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.809 -1.182 . . . . 0.0 110.698 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.0 -25.04 30.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.583 -1.323 . . . . 0.0 109.951 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.05 -31.01 55.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.66 -1.275 . . . . 0.0 110.058 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -85.84 -38.54 18.0 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.679 -1.263 . . . . 0.0 110.206 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 32' ' ' ILE . 81.4 mt -69.12 -38.09 78.7 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.889 -1.132 . . . . 0.0 110.066 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -64.64 -32.58 74.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.96 -1.087 . . . . 0.0 110.42 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.97 -66.49 0.78 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.784 -1.197 . . . . 0.0 109.954 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.761 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -46.61 -58.1 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.893 -1.129 . . . . 0.0 111.986 -178.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 22.8 m-85 -65.1 -31.3 72.43 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.0 p -62.56 -31.87 72.74 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.599 -1.313 . . . . 0.0 110.466 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -50.37 -35.79 29.66 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.515 -1.366 . . . . 0.0 110.47 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 43.7 m-85 -92.92 64.43 3.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.854 -1.154 . . . . 0.0 110.027 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.72 -139.48 14.43 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -133.88 146.75 50.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.108 -1.231 . . . . 0.0 109.484 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 34' ' ' SER . 24.9 mt -99.85 133.54 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.118 -0.989 . . . . 0.0 109.445 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 59' ' ' LYS . 65.4 mt -86.26 -42.45 13.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.99 -1.069 . . . . 0.0 109.455 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.48 160.28 34.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.139 -0.975 . . . . 0.0 110.281 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.8 mt -141.01 123.53 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.185 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.25 116.81 24.67 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.036 -1.04 . . . . 0.0 109.632 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 44' ' ' VAL . 21.3 t -113.48 22.46 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.068 -1.02 . . . . 0.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.2 t -47.48 143.91 3.34 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.815 -1.178 . . . . 0.0 110.497 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -119.53 39.23 3.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.058 . . . . 0.0 109.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.6 p -75.88 170.25 16.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.952 -1.093 . . . . 0.0 108.795 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.77 -41.27 66.99 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.811 -1.181 . . . . 0.0 109.605 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -69.78 -39.04 76.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.094 -1.004 . . . . 0.0 109.144 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.42 55.96 2.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.349 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.43 130.18 46.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.854 -1.154 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.93 38.67 86.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -161.16 153.45 20.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.948 -1.325 . . . . 0.0 109.977 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.34 -175.08 5.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.034 -1.041 . . . . 0.0 109.95 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 34.6 m-85 -135.35 149.84 49.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.086 -1.009 . . . . 0.0 109.21 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 10' ' ' THR . 21.2 t -132.34 140.77 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.936 -1.102 . . . . 0.0 109.193 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.936 HG21 HD11 ' A' ' 92' ' ' ILE . 11.3 mt -118.83 139.49 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.96 -1.088 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 61.6 m-85 -117.21 149.62 40.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.036 -1.04 . . . . 0.0 109.47 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 40' ' ' LEU . 11.1 ttmt -55.68 -40.12 71.89 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.993 -1.067 . . . . 0.0 109.321 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -120.84 161.95 20.65 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.387 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 9' ' ' HIS . 47.1 t -74.27 -36.98 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.049 -1.032 . . . . 0.0 109.805 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.4 p -60.12 -34.9 74.14 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.906 -1.121 . . . . 0.0 110.215 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -61.31 -35.71 78.12 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.79 -1.194 . . . . 0.0 110.47 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.36 -32.15 62.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.791 -1.193 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 ' HD2' ' A' ' 69' ' ' ARG . 18.1 m -62.87 -38.33 90.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.004 -1.06 . . . . 0.0 109.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -73.05 -36.59 66.94 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.94 -1.1 . . . . 0.0 109.619 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.44 -23.23 66.26 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.879 -1.138 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' O ' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -85.55 -57.89 2.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.476 -1.39 . . . . 0.0 110.226 -179.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.705 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -51.54 -36.9 46.98 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.913 -1.117 . . . . 0.0 110.464 -179.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -77.53 -36.33 52.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.066 . . . . 0.0 110.053 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 mtp -101.95 34.46 2.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.934 -1.104 . . . . 0.0 110.179 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 68' ' ' LEU . 2.8 mm-40 -76.34 96.41 3.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.845 -1.159 . . . . 0.0 108.698 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.43 70.55 1.23 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -121.34 172.41 4.94 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.102 -1.234 . . . . 0.0 109.765 -179.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.1 Cg_endo -77.66 136.12 15.07 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.88 1.72 . . . . 0.0 110.562 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 6.0 t80 -156.55 112.4 2.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.157 -0.964 . . . . 0.0 109.188 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 11.1 m-85 60.78 41.36 14.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.834 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.26 62.94 2.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.094 -1.004 . . . . 0.0 109.762 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -178.82 142.47 0.41 Allowed Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 120.913 -1.117 . . . . 0.0 110.015 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.17 124.68 6.73 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.597 1.531 . . . . 0.0 110.077 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -131.25 135.25 47.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -104.68 148.31 26.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.476 ' O ' HD21 ' A' ' 68' ' ' LEU . 72.6 mt -110.73 142.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -147.12 137.01 23.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.125 -0.984 . . . . 0.0 109.06 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 32.5 m-85 -48.85 155.69 0.57 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.954 -1.091 . . . . 0.0 110.25 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.8 5.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.111 -0.993 . . . . 0.0 109.142 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -86.27 -48.04 8.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.964 -1.085 . . . . 0.0 109.343 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -105.93 179.61 4.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.017 -1.052 . . . . 0.0 109.5 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.39 178.48 7.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.005 -1.06 . . . . 0.0 109.288 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 p -94.44 156.48 16.46 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.081 -1.012 . . . . 0.0 109.559 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.71 -20.69 21.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.041 -1.037 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -59.71 -23.16 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.523 -1.36 . . . . 0.0 109.514 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.668 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.95 0 O-C-N 120.567 -1.333 . . . . 0.0 107.946 178.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.665 0 N-CA-C 110.397 -0.655 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -117.68 175.95 5.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.109 -0.994 . . . . 0.0 109.491 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 4.3 t60 -86.18 -41.91 14.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.018 -1.051 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -101.15 150.49 22.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.712 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -111.88 147.29 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.0 . . . . 0.0 109.283 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -118.86 126.5 51.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.225 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.8 mt -98.88 150.79 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.068 -1.02 . . . . 0.0 108.952 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -141.92 176.22 9.11 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.923 -1.111 . . . . 0.0 109.623 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 42.75 17.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.139 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' CA ' ' A' ' 53' ' ' GLN . 67.3 mt -92.4 178.95 5.67 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.159 -0.963 . . . . 0.0 109.567 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.519 ' HB3' HD11 ' A' ' 20' ' ' ILE . 24.0 t30 -73.34 150.54 41.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.037 -1.039 . . . . 0.0 109.129 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -102.07 38.03 1.74 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 110.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -151.43 35.64 0.57 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.913 -1.117 . . . . 0.0 110.183 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 25' ' ' LEU . 9.6 mm -101.53 151.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.886 -1.134 . . . . 0.0 109.755 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -79.77 -179.58 7.0 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -88.05 -40.13 14.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.987 -1.071 . . . . 0.0 109.153 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -27.19 59.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.095 -1.003 . . . . 0.0 108.589 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.7 tp10 -74.24 -48.07 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.915 -1.115 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 20' ' ' ILE . 10.2 tp -64.48 -34.05 77.32 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.96 -1.088 . . . . 0.0 110.689 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.15 -29.1 62.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.849 -1.157 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -30.98 61.91 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.639 -1.288 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 m -77.37 -38.84 49.22 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.722 -1.236 . . . . 0.0 110.174 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.665 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.9 mt -67.6 -40.39 84.74 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.971 -1.081 . . . . 0.0 109.754 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HA ' HD11 ' A' ' 42' ' ' ILE . 1.7 t-80 -61.76 -29.48 70.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.07 -1.018 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.19 -70.13 0.56 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.678 -1.264 . . . . 0.0 110.011 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.56 -58.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.987 . . . . 0.0 111.95 -178.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 47.6 m-85 -62.29 -34.47 76.64 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.823 -1.173 . . . . 0.0 110.804 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.477 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -57.15 -33.84 67.81 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.778 -1.202 . . . . 0.0 110.371 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -46.71 -43.16 17.63 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.761 -1.212 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -99.42 74.92 1.94 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.748 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.32 160.61 32.46 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -84.4 146.8 27.48 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.034 -1.274 . . . . 0.0 109.309 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 34' ' ' SER . 36.1 mt -97.32 147.58 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.03 -1.044 . . . . 0.0 109.633 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 59' ' ' LYS . 4.9 mp -91.71 -39.82 11.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.112 -0.992 . . . . 0.0 109.642 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.67 151.57 2.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.056 -1.027 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 55' ' ' PHE . 60.7 mt -123.31 131.63 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.067 -1.021 . . . . 0.0 109.392 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.72 125.53 50.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.003 -1.061 . . . . 0.0 109.626 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 136.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -124.17 139.64 53.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.985 -1.072 . . . . 0.0 109.968 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -109.8 40.18 1.96 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 p -97.63 165.71 11.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.011 -1.056 . . . . 0.0 109.124 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.79 -39.76 65.73 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.836 -1.165 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -66.07 -40.45 90.88 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.981 -1.075 . . . . 0.0 109.484 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.4 mmt -100.87 62.1 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -107.21 56.81 0.64 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.094 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.18 57.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.775 ' CA ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -177.83 178.77 0.94 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.04 -1.271 . . . . 0.0 110.497 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -163.68 179.21 7.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.775 -1.203 . . . . 0.0 110.598 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' ILE . 58.6 m-85 -137.22 138.29 39.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.015 -1.053 . . . . 0.0 109.216 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.46 109.93 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.978 -1.076 . . . . 0.0 109.623 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD11 ' A' ' 93' ' ' ILE . 38.7 mt -91.35 116.46 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.989 -1.069 . . . . 0.0 108.872 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 3.2 m-85 -88.22 148.14 24.51 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.443 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 40' ' ' LEU . 8.3 ttmm -49.5 -35.57 20.33 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -134.78 164.13 28.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.556 179.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.2 t -67.31 -37.66 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.078 -1.013 . . . . 0.0 110.175 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 60' ' ' GLU . 59.4 p -58.23 -34.47 70.45 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.961 -1.087 . . . . 0.0 110.488 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.5 m -64.46 -36.91 85.71 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.767 -1.208 . . . . 0.0 110.376 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -73.0 -27.36 61.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.857 -1.152 . . . . 0.0 109.605 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.486 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.6 m -68.18 -39.2 82.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.874 -1.141 . . . . 0.0 109.44 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -68.13 -41.39 81.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.097 . . . . 0.0 109.094 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -56.34 -38.43 71.34 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.068 -1.02 . . . . 0.0 109.556 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.12 -35.99 77.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.019 -1.051 . . . . 0.0 109.765 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -94.24 56.89 2.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -160.11 -56.54 0.06 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.055 -1.028 . . . . 0.0 109.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.445 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 93.3 mtp -104.72 36.52 2.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.21 105.38 0.33 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.955 -1.091 . . . . 0.0 108.836 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.06 1.47 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.74 -1.744 . . . . 0.0 108.74 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.7 m-85 -116.82 167.05 11.37 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.117 -1.225 . . . . 0.0 109.961 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.08 126.95 8.16 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.962 1.774 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -138.29 112.01 8.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 108.889 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.62 ' CD2' HD12 ' A' ' 20' ' ' ILE . 70.4 m-85 71.36 -83.94 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 122.114 -0.366 . . . . 0.0 110.394 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -154.88 47.28 0.54 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.581 -1.325 . . . . 0.0 110.245 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -179.44 156.13 0.8 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 120.977 -1.077 . . . . 0.0 110.15 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.51 141.87 22.87 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.762 1.642 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 16' ' ' LEU . 1.4 ptt? -140.68 130.89 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 0.0 110.218 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -100.96 150.01 23.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.207 -0.933 . . . . 0.0 108.696 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.85 136.82 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.069 -1.02 . . . . 0.0 110.557 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -130.19 140.71 50.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 2.6 m-85 -50.92 151.15 2.64 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.882 -1.136 . . . . 0.0 109.891 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 178.2 2.73 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.16 -44.33 8.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 109.156 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.9 p -119.34 179.99 4.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.117 -0.989 . . . . 0.0 109.6 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -94.67 -176.05 3.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.52 ' OG ' HD13 ' A' ' 57' ' ' ILE . 28.3 t -103.43 166.66 10.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.067 -1.021 . . . . 0.0 109.612 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -96.49 -24.24 16.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.037 -1.039 . . . . 0.0 110.956 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -57.7 -25.65 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.46 -1.4 . . . . 0.0 109.341 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm . . . . . 0 N--CA 1.502 2.138 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.0 Cg_endo . . . . . 0 CA--C 1.535 0.559 0 N-CA-C 110.507 -0.613 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.81 156.53 17.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.145 -0.972 . . . . 0.0 109.406 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -55.52 -38.3 69.06 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.04 -1.037 . . . . 0.0 109.792 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.4 m -106.78 140.94 38.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.089 . . . . 0.0 109.826 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.666 HG23 ' HB1' ' A' ' 64' ' ' ALA . 11.6 pt -107.69 146.05 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.134 -0.979 . . . . 0.0 109.307 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 42.7 t80 -104.7 124.52 49.53 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.274 -0.891 . . . . 0.0 109.43 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.6 mt -101.72 153.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.017 -1.052 . . . . 0.0 109.093 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -141.49 173.97 10.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.946 -1.097 . . . . 0.0 109.581 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 60.24 58.53 2.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.056 -1.028 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' ASN . 62.0 mt -114.12 47.72 1.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.996 -1.065 . . . . 0.0 109.652 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.607 ' HB3' HD11 ' A' ' 20' ' ' ILE . 5.8 t-20 55.87 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.188 -0.945 . . . . 0.0 110.87 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.54 39.9 3.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.075 -1.015 . . . . 0.0 109.953 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -147.65 34.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.993 -1.067 . . . . 0.0 110.107 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 25' ' ' LEU . 3.9 mt -115.28 156.72 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.905 -1.122 . . . . 0.0 110.095 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 20' ' ' ILE . 21.9 mttm -91.09 -179.16 5.37 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.191 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -79.41 -38.7 34.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.049 -1.032 . . . . 0.0 109.699 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.43 -25.67 65.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.045 -1.035 . . . . 0.0 108.878 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 20' ' ' ILE . 5.4 mm-40 -73.17 -54.81 7.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.867 -1.145 . . . . 0.0 109.776 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 20' ' ' ILE . 94.0 mt -62.7 -20.53 64.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.937 -1.102 . . . . 0.0 111.253 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -84.93 -27.85 26.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.457 -1.402 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.87 -29.67 50.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.7 -1.25 . . . . 0.0 110.265 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -88.71 -36.04 16.4 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.653 -1.279 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 25' ' ' LEU . 22.9 mt -72.09 -41.44 67.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.858 -1.151 . . . . 0.0 109.625 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' HD2' HD11 ' A' ' 42' ' ' ILE . 3.8 t-80 -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.36 -67.3 0.7 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.783 -1.198 . . . . 0.0 109.976 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -43.96 -59.66 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 112.103 -178.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HD1' ' HB1' ' A' ' 67' ' ' ALA . 29.8 m-85 -61.78 -37.52 84.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.716 -1.24 . . . . 0.0 110.277 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.0 t -51.88 -35.69 46.06 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.896 -1.127 . . . . 0.0 110.471 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -53.79 -49.8 67.51 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.751 -1.218 . . . . 0.0 109.714 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 97.6 m-85 -57.43 -58.73 6.97 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.008 -1.058 . . . . 0.0 109.513 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.35 -158.48 8.25 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -89.8 149.81 22.53 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.083 -1.245 . . . . 0.0 109.425 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 34' ' ' SER . 42.0 mt -114.07 117.16 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 109.608 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 59' ' ' LYS . 6.8 mp -62.28 -68.75 0.3 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.051 -1.031 . . . . 0.0 109.348 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -148.25 162.21 39.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 109.747 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 56' ' ' VAL . 39.7 mt -129.87 133.61 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.961 -1.087 . . . . 0.0 109.393 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.4 128.69 50.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 109.749 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.82 160.27 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.995 -1.065 . . . . 0.0 108.786 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 147.46 28.07 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.899 -1.126 . . . . 0.0 109.972 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -117.88 37.23 4.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 0.0 109.739 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.4 p -96.95 173.81 7.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.206 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -41.21 69.52 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 109.538 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -66.2 -39.11 89.4 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.997 -1.065 . . . . 0.0 109.74 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mtp -107.05 57.92 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.944 -1.097 . . . . 0.0 109.41 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.02 144.79 30.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.043 -1.036 . . . . 0.0 109.646 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.87 38.46 84.23 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 3.7 pt20 -159.64 150.19 19.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.975 -1.309 . . . . 0.0 109.824 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.65 -172.66 4.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.052 -1.03 . . . . 0.0 110.377 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.6 m-85 -142.59 150.17 39.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.137 -0.977 . . . . 0.0 109.045 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' THR . 14.5 p -138.63 137.61 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.018 -1.051 . . . . 0.0 109.739 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.56 ' CG2' HD11 ' A' ' 93' ' ' ILE . 4.7 mp -109.37 122.41 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 68.7 m-85 -93.69 155.49 17.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 109.253 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 40' ' ' LEU . 30.1 ttmt -52.21 -39.57 60.37 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.97 -1.081 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.5 174.63 8.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.105 -0.997 . . . . 0.0 109.147 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.54 -37.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.966 -1.084 . . . . 0.0 109.776 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -60.48 -32.16 71.15 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.96 -1.087 . . . . 0.0 110.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -34.32 78.15 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.779 -1.201 . . . . 0.0 110.604 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.666 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -73.55 -35.89 65.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.697 -1.252 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.644 HG23 ' OH ' ' A' ' 85' ' ' TYR . 32.4 m -61.03 -37.49 82.78 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.091 -1.005 . . . . 0.0 109.857 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -71.48 -36.61 71.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.933 -1.104 . . . . 0.0 109.509 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.562 ' HB1' ' HD1' ' A' ' 33' ' ' PHE . . . -74.7 -12.47 60.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.806 -1.184 . . . . 0.0 111.381 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.684 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.57 -39.96 10.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.331 -1.48 . . . . 0.0 110.463 -179.285 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 65' ' ' THR . 10.6 mtp85 -75.63 -45.58 36.47 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.895 -1.128 . . . . 0.0 109.485 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.44 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 56.6 m -65.11 -36.04 83.02 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.117 -0.989 . . . . 0.0 109.694 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.2 mmm -102.87 35.66 2.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.909 -1.12 . . . . 0.0 109.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.29 101.76 4.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.901 -1.125 . . . . 0.0 108.767 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.85 70.56 1.26 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.9 m-85 -116.35 168.52 8.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.133 -1.216 . . . . 0.0 110.017 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.49 109.38 2.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.089 1.859 . . . . 0.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.73 120.76 24.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.045 -1.034 . . . . 0.0 108.244 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.714 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 26.0 m-85 59.86 40.08 19.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.73 67.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.01 -1.057 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 178.84 146.76 0.37 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 120.913 -1.117 . . . . 0.0 109.998 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.15 113.34 3.38 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.538 1.492 . . . . 0.0 109.887 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.48 126.5 46.84 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.999 -1.063 . . . . 0.0 110.295 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -95.76 145.48 25.29 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.037 -1.039 . . . . 0.0 108.801 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.5 mt -105.0 137.01 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.031 -1.043 . . . . 0.0 110.343 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.54 135.29 38.35 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.644 ' OH ' HG23 ' A' ' 65' ' ' THR . 34.6 m-85 -45.02 162.78 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.194 -0.941 . . . . 0.0 111.225 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.66 -170.69 3.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.23 -0.919 . . . . 0.0 109.214 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -79.9 -51.36 9.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.007 -1.058 . . . . 0.0 109.002 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -132.23 -179.69 5.58 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.178 -0.951 . . . . 0.0 109.789 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.37 -175.96 0.54 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.179 -0.951 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -94.0 156.83 16.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.079 . . . . 0.0 109.394 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -29.86 51.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.04 -1.037 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 93' ' ' ILE . 33.6 pt -58.97 -24.99 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.703 -1.248 . . . . 0.0 109.163 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.499 1.978 0 O-C-N 120.65 -1.282 . . . . 0.0 107.6 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.537 0.671 0 N-CA-C 110.502 -0.615 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.852 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -141.45 -178.59 5.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.058 -1.026 . . . . 0.0 109.118 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.79 ' CD2' HG21 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -101.37 33.29 2.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.036 -1.04 . . . . 0.0 110.172 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.915 HG23 HD13 ' A' ' 57' ' ' ILE . 78.7 m -167.92 123.8 1.05 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.813 -1.179 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.765 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.2 pp -88.8 163.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.949 -1.095 . . . . 0.0 109.088 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 16.2 t80 -132.44 129.17 38.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.034 -1.041 . . . . 0.0 109.568 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 16' ' ' LEU . 5.1 mt -104.37 153.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -140.63 169.33 17.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.054 -1.028 . . . . 0.0 109.471 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.7 57.38 4.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 109.498 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 13' ' ' ILE . 18.1 mt -100.42 45.7 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.562 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LEU . 6.8 t30 56.7 160.92 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.089 -1.007 . . . . 0.0 110.746 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.99 36.8 3.35 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.962 -1.086 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -151.21 35.0 0.58 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.889 -1.132 . . . . 0.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.6 mm -101.6 152.47 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.851 -1.156 . . . . 0.0 109.822 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.44 -177.05 6.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -86.48 -39.34 16.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 109.298 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.51 -25.85 54.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.182 -0.949 . . . . 0.0 108.861 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -76.02 -45.09 36.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.92 -1.112 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.805 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.58 -33.26 74.65 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.896 -1.128 . . . . 0.0 110.371 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -31.48 66.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.797 -1.189 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.76 -34.2 66.84 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.67 -1.269 . . . . 0.0 110.241 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 14.6 m -75.1 -33.37 61.62 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.784 -1.198 . . . . 0.0 110.494 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 13' ' ' ILE . 77.8 mt -75.03 -30.84 61.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.779 -1.201 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 6.9 t-80 -83.28 -23.5 32.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.781 -1.2 . . . . 0.0 111.093 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -33.18 21.96 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.546 -1.346 . . . . 0.0 110.506 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.635 HD12 ' HE1' ' A' ' 76' ' ' PHE . 14.7 mt -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 O-C-N 120.826 -1.171 . . . . 0.0 110.218 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 61.9 m-85 -90.39 -29.26 18.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.804 -1.185 . . . . 0.0 111.504 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.571 -1.331 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -51.8 -34.66 40.98 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.584 -1.322 . . . . 0.0 110.641 -179.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CE1' ' OD1' ' A' ' 66' ' ' ASN . 14.3 m-85 -63.65 -52.24 61.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.812 -1.18 . . . . 0.0 109.104 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.72 -107.23 0.47 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -145.8 129.87 17.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.115 -1.227 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 57' ' ' ILE . 67.3 mt -94.99 143.93 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.065 -1.022 . . . . 0.0 109.155 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 59' ' ' LYS . 92.5 mt -94.74 -38.4 10.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.079 -1.013 . . . . 0.0 110.303 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -166.47 142.93 4.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.891 -1.131 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.9 mt -120.46 112.84 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.982 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.23 114.44 26.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.951 -1.093 . . . . 0.0 110.033 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 t -110.59 160.62 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.133 -0.98 . . . . 0.0 108.477 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.9 t -154.81 165.43 36.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.801 -1.187 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -133.99 38.77 3.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.674 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.4 p -89.66 164.66 14.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.968 -1.082 . . . . 0.0 108.73 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.76 -53.06 62.32 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.843 -1.161 . . . . 0.0 109.118 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -59.86 -40.19 87.75 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.089 -1.007 . . . . 0.0 109.406 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 mtp -105.25 63.67 0.7 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.029 -1.045 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.23 138.15 46.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.98 -1.075 . . . . 0.0 109.521 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.36 38.23 96.08 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 10.3 pt20 -153.16 158.32 41.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.837 -1.39 . . . . 0.0 109.637 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.52 173.97 14.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.0 -1.062 . . . . 0.0 110.154 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.16 121.46 26.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 60.7 t -108.4 131.27 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.875 -1.141 . . . . 0.0 108.845 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.915 HD13 HG23 ' A' ' 10' ' ' THR . 17.9 mm -105.5 140.48 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.078 -1.014 . . . . 0.0 109.31 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.55 143.93 44.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.016 -1.053 . . . . 0.0 109.35 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 40' ' ' LEU . 20.9 ttmt -52.47 -39.97 61.78 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.955 -1.091 . . . . 0.0 109.684 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -125.26 148.35 48.71 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.162 -0.961 . . . . 0.0 109.266 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.6 t -60.6 -34.34 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.092 -1.005 . . . . 0.0 110.156 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 p -60.79 -38.3 84.84 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.854 -1.154 . . . . 0.0 109.805 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.24 -34.56 72.37 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.938 -1.101 . . . . 0.0 110.504 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.765 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -72.86 -34.69 66.91 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.76 -1.212 . . . . 0.0 109.084 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.493 HG23 ' OH ' ' A' ' 85' ' ' TYR . 8.3 m -59.31 -38.85 81.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.356 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' OD1' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -69.93 -37.5 75.93 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 33' ' ' PHE . . . -79.63 -3.59 47.83 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.909 -1.119 . . . . 0.0 111.302 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.927 HD12 HG22 ' A' ' 83' ' ' ILE . 3.3 tp -96.58 -44.47 7.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.319 -1.488 . . . . 0.0 109.896 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -81.56 -42.47 20.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 109.461 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 58.4 m -63.94 -31.5 72.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.436 ' HB2' HD12 ' A' ' 83' ' ' ILE . 80.2 mmm -102.88 37.41 1.96 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.701 -1.249 . . . . 0.0 109.703 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -77.93 108.14 10.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.079 . . . . 0.0 109.311 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.59 58.8 6.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -102.44 170.96 5.71 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.256 . . . . 0.0 109.841 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.6 Cg_endo -80.02 137.12 12.11 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.014 1.81 . . . . 0.0 110.687 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.635 ' HE1' HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -154.2 106.92 2.84 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.072 -1.018 . . . . 0.0 109.344 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.927 ' CD2' HD12 ' A' ' 20' ' ' ILE . 90.6 m-85 58.72 44.85 16.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.179 -0.951 . . . . 0.0 109.704 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.41 68.59 0.83 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.129 -0.982 . . . . 0.0 109.817 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.2 151.5 0.44 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.959 -1.088 . . . . 0.0 110.057 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.07 134.99 13.48 Favored 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.76 1.64 . . . . 0.0 109.949 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.18 121.31 23.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 0.0 110.403 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -100.3 144.75 28.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.119 -0.988 . . . . 0.0 108.422 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.927 HG22 HD12 ' A' ' 68' ' ' LEU . 56.5 mt -113.0 134.2 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.968 -1.082 . . . . 0.0 110.629 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -131.0 141.25 50.23 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.493 ' OH ' HG23 ' A' ' 65' ' ' THR . 8.1 m-85 -52.09 168.88 0.08 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.729 -1.232 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.67 174.34 7.55 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.005 -1.06 . . . . 0.0 109.74 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -95.5 -44.36 7.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.036 -1.04 . . . . 0.0 109.517 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.0 p -99.09 178.66 4.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.045 -1.035 . . . . 0.0 109.657 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -100.75 -179.37 4.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.05 -1.031 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 157.9 18.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.074 -1.016 . . . . 0.0 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -93.38 -26.79 17.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.012 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.735 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.4 pp -56.98 -27.3 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.579 -1.326 . . . . 0.0 109.46 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.79 HG21 ' CD2' ' A' ' 9' ' ' HIS . 1.1 mm . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.0 Cg_endo . . . . . 0 CA--C 1.536 0.621 0 N-CA-C 110.258 -0.708 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.861 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 t30 -102.11 -172.24 2.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 109.648 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.6 t60 -85.65 -37.9 18.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.098 -1.001 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' ILE . 99.1 m -106.92 156.18 18.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.071 . . . . 0.0 110.142 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.463 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -116.23 161.24 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 25.5 t80 -132.54 137.75 47.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.033 -1.042 . . . . 0.0 109.694 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.26 138.41 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.021 -1.05 . . . . 0.0 109.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -135.17 -171.03 2.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.044 -1.035 . . . . 0.0 109.266 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 59.65 47.07 11.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.903 -1.123 . . . . 0.0 109.425 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -100.86 -177.54 3.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.987 -1.071 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB2' HD11 ' A' ' 20' ' ' ILE . 10.4 m-20 -77.03 153.44 34.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.88 -1.138 . . . . 0.0 109.447 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -103.83 39.81 1.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 109.804 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -151.81 37.13 0.57 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.963 -1.086 . . . . 0.0 109.857 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -111.79 157.14 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.025 -1.047 . . . . 0.0 109.883 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 20' ' ' ILE . 57.6 mttt -91.35 179.59 5.65 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.142 -1.023 . . . . 0.0 108.936 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -37.09 26.89 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.964 -1.085 . . . . 0.0 109.702 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.75 -18.07 60.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.072 -1.018 . . . . 0.0 109.697 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -85.89 -44.44 12.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.587 -1.321 . . . . 0.0 110.271 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.705 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.7 tp -70.4 -33.15 71.05 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.855 -1.153 . . . . 0.0 110.217 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -33.8 62.55 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.843 -1.161 . . . . 0.0 109.674 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -68.11 -34.32 76.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.784 -1.197 . . . . 0.0 110.194 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -74.47 -40.04 62.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.726 -1.234 . . . . 0.0 109.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD23 ' HE2' ' A' ' 33' ' ' PHE . 9.9 mt -64.72 -30.23 71.23 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.985 -1.072 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -77.87 -24.97 48.36 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.692 -1.255 . . . . 0.0 111.132 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.09 -37.65 28.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.598 -1.314 . . . . 0.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.03 -55.53 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.901 -1.124 . . . . 0.0 110.921 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 67.1 m-85 -60.19 -31.07 69.79 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.768 -1.207 . . . . 0.0 110.894 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -70.9 -30.25 66.54 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.657 -1.277 . . . . 0.0 111.303 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -50.13 -30.0 10.29 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.593 -1.317 . . . . 0.0 111.144 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -79.1 -53.02 7.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.611 -1.306 . . . . 0.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.35 -146.77 4.41 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -106.62 135.65 47.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.039 -1.271 . . . . 0.0 109.436 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.32 128.24 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.975 -1.078 . . . . 0.0 109.225 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -73.07 -40.91 64.65 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.051 -1.03 . . . . 0.0 109.471 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.37 138.63 0.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.012 -1.055 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 56' ' ' VAL . 57.3 mt -112.01 143.49 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.063 -1.023 . . . . 0.0 109.048 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.17 141.67 51.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.961 -1.087 . . . . 0.0 110.027 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.87 128.24 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 108.985 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.25 154.94 19.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.969 -1.082 . . . . 0.0 109.841 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.49 38.39 2.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.041 -1.037 . . . . 0.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -100.5 -176.51 3.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.016 -1.052 . . . . 0.0 109.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.99 -53.25 27.38 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.929 -1.107 . . . . 0.0 109.856 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -67.11 -37.97 84.84 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -105.46 58.59 0.67 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.938 -1.101 . . . . 0.0 109.462 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.13 139.73 41.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 109.464 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.01 51.69 51.14 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.9 pt20 -168.3 158.1 9.67 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.046 -1.267 . . . . 0.0 110.245 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.07 150.72 25.98 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.931 -1.106 . . . . 0.0 110.179 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 49.6 m-85 -108.13 154.23 22.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.086 -1.009 . . . . 0.0 109.103 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 HG12 ' A' ' 42' ' ' ILE . 21.9 t -129.77 124.18 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.121 . . . . 0.0 109.643 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 92' ' ' ILE . 60.6 mt -97.81 117.13 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.285 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 2.3 m-85 -93.68 146.2 24.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.054 -1.029 . . . . 0.0 109.332 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -54.7 -40.43 69.17 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.4 155.56 40.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.033 -1.042 . . . . 0.0 109.223 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 8' ' ' ASN . 58.1 t -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.022 -1.049 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 p -59.97 -37.71 80.39 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.994 -1.066 . . . . 0.0 110.159 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.429 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.886 -1.134 . . . . 0.0 110.377 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.71 -30.01 56.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.764 -1.21 . . . . 0.0 109.872 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -62.7 -37.48 86.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 109.514 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -77.29 -36.39 54.27 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.934 -1.104 . . . . 0.0 109.576 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -75.08 -8.72 57.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.887 -1.133 . . . . 0.0 111.484 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.531 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.74 -47.77 4.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.349 -1.469 . . . . 0.0 110.189 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -70.49 -41.68 72.39 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.028 -1.045 . . . . 0.0 109.503 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 -37.6 87.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.082 -1.011 . . . . 0.0 109.484 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.8 mmm -103.23 35.57 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.909 -1.119 . . . . 0.0 109.868 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -70.35 113.5 7.56 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 108.667 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.48 70.12 1.11 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.585 -1.806 . . . . 0.0 108.585 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -118.94 172.31 4.43 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.087 -1.243 . . . . 0.0 109.865 -179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.7 Cg_endo -77.44 140.01 18.87 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.91 1.74 . . . . 0.0 110.474 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.581 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.6 t80 -159.36 112.83 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.25 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.705 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 13.9 m-85 60.99 41.92 13.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.0 t70 57.33 63.99 1.72 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.163 -0.961 . . . . 0.0 109.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 179.48 144.1 0.35 Allowed Pre-proline 0 N--CA 1.499 2.025 0 O-C-N 120.921 -1.112 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 126.4 7.69 Favored 'Trans proline' 0 C--N 1.323 -0.765 0 C-N-CA 121.642 1.562 . . . . 0.0 110.018 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.37 135.28 40.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.994 -1.066 . . . . 0.0 110.124 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -104.85 146.72 28.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 108.639 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.4 mt -107.48 136.74 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.006 -1.059 . . . . 0.0 110.284 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.24 133.57 41.01 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.527 ' CE1' HD13 ' A' ' 68' ' ' LEU . 49.5 m-85 -51.43 133.96 29.11 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.805 -1.184 . . . . 0.0 109.816 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -176.91 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.021 -1.049 . . . . 0.0 109.475 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -92.3 -44.17 8.88 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.96 -1.088 . . . . 0.0 109.332 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.4 p -104.32 179.65 4.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.032 -1.042 . . . . 0.0 109.459 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -93.49 177.59 5.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.07 -1.019 . . . . 0.0 109.463 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.453 ' OG ' HG12 ' A' ' 93' ' ' ILE . 1.7 p -72.64 154.53 40.7 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.097 -1.002 . . . . 0.0 109.419 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.04 -30.74 15.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.03 -1.044 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.714 HD13 HD23 ' A' ' 40' ' ' LEU . 2.0 pp -58.24 -24.59 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.669 -1.27 . . . . 0.0 109.604 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.631 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.137 0 O-C-N 120.472 -1.393 . . . . 0.0 107.316 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.678 0 N-CA-C 110.506 -0.613 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.588 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.1 m120 -132.73 -177.02 4.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.061 -1.025 . . . . 0.0 109.405 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -102.49 33.98 2.95 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.9 m -167.95 118.76 0.82 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.934 -1.104 . . . . 0.0 110.024 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.9 pt -83.08 169.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.923 -1.111 . . . . 0.0 109.155 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -137.75 143.62 41.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.0 109.251 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -133.07 147.01 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -143.13 -175.24 4.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.021 -1.049 . . . . 0.0 109.471 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.36 50.28 4.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.934 -1.104 . . . . 0.0 109.372 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 -178.34 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.025 -1.047 . . . . 0.0 109.317 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -92.07 149.49 21.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.582 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.07 37.88 1.77 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -111.43 -55.36 2.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.919 -1.113 . . . . 0.0 109.368 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.014 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -56.1 155.64 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.132 -0.98 . . . . 0.0 108.854 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.72 -166.58 1.51 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 110.137 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -85.38 -35.92 21.05 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.959 -1.088 . . . . 0.0 110.602 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.03 -38.83 86.62 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.948 -1.095 . . . . 0.0 108.56 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 mm-40 -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.981 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.26 -36.84 43.97 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.113 -0.992 . . . . 0.0 110.499 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -68.57 -42.36 78.41 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.888 -1.132 . . . . 0.0 109.333 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -57.06 -33.25 67.05 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.023 -1.048 . . . . 0.0 110.59 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 74.8 m -75.4 -48.73 21.56 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.718 -1.239 . . . . 0.0 110.434 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 54' ' ' ALA . 52.4 mt -53.38 -33.15 52.62 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.923 -1.111 . . . . 0.0 110.752 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.785 ' CD2' HD12 ' A' ' 39' ' ' ILE . 14.3 t-80 -76.44 -41.38 47.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.776 -1.203 . . . . 0.0 109.929 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.21 68.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.115 -0.991 . . . . 0.0 110.964 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.652 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -83.63 -54.82 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 120.654 -1.278 . . . . 0.0 111.385 -178.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.903 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 18.8 m-85 -95.56 48.17 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.742 -1.224 . . . . 0.0 110.871 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -116.46 -57.37 2.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 109.566 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.52 -33.77 15.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.995 -1.065 . . . . 0.0 110.658 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 8.5 m-85 -56.32 -63.54 1.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.76 -1.212 . . . . 0.0 109.382 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.83 -120.73 1.57 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -130.16 143.35 50.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.013 -1.286 . . . . 0.0 109.487 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.785 HD12 ' CD2' ' A' ' 30' ' ' HIS . 66.2 mt -108.2 112.56 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.046 -1.034 . . . . 0.0 109.55 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 92' ' ' ILE . 1.7 mp -58.43 -41.6 85.4 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.013 -1.055 . . . . 0.0 109.184 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 165.31 1.51 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.073 -1.017 . . . . 0.0 110.635 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 29' ' ' LEU . 51.6 mt -132.25 127.46 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 108.89 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 43' ' ' LEU . 6.8 mp -103.14 141.4 35.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.989 -1.07 . . . . 0.0 110.119 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.0 m -138.99 122.49 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.971 . . . . 0.0 108.839 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.89 162.3 14.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.948 -1.095 . . . . 0.0 109.968 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.02 34.59 5.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.086 -1.008 . . . . 0.0 110.088 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 p -100.68 170.14 8.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.887 -1.133 . . . . 0.0 108.947 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.82 -59.37 4.71 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.814 -1.179 . . . . 0.0 110.042 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -56.13 -36.76 68.59 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.953 -1.092 . . . . 0.0 109.866 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -99.78 47.25 0.95 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.796 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -110.57 131.2 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.888 -1.132 . . . . 0.0 109.344 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.23 40.87 94.96 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -170.86 147.47 2.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.299 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -141.95 178.73 7.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.022 -1.049 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 14.8 m-85 -128.06 139.24 52.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.063 -1.023 . . . . 0.0 109.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 t -123.28 142.7 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.987 -1.07 . . . . 0.0 109.52 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' ILE . 29.4 mt -121.88 147.98 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.037 . . . . 0.0 109.211 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.696 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 95.5 m-85 -123.38 152.86 41.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HA ' HD13 ' A' ' 40' ' ' LEU . 9.2 mtpt -50.21 -39.43 44.27 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.001 -1.062 . . . . 0.0 109.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -125.39 175.79 7.24 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.058 -1.026 . . . . 0.0 109.48 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 8' ' ' ASN . 41.1 t -81.74 -37.42 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.1 -1.0 . . . . 0.0 109.801 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -59.06 -30.57 68.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.011 -1.055 . . . . 0.0 110.599 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -67.83 -36.23 80.01 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.653 -1.28 . . . . 0.0 110.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -73.29 -28.33 62.05 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.841 -1.162 . . . . 0.0 109.637 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' OH ' ' A' ' 85' ' ' TYR . 58.0 m -70.45 -36.98 74.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.057 . . . . 0.0 109.711 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.9 -39.18 76.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.81 -1.181 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.903 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -63.6 -36.0 82.37 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.993 -1.067 . . . . 0.0 110.033 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.658 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -67.85 -41.05 83.51 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.856 -1.152 . . . . 0.0 110.0 -179.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -70.95 -22.08 62.26 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.954 -1.091 . . . . 0.0 111.296 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 p -78.04 -38.14 45.23 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.544 -1.347 . . . . 0.0 110.014 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mmm -110.33 38.7 2.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.49 103.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.92 -1.113 . . . . 0.0 108.903 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.6 64.78 3.81 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -128.48 165.69 29.53 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.055 -1.262 . . . . 0.0 109.441 -179.655 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.0 Cg_endo -78.05 139.64 17.33 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.833 1.689 . . . . 0.0 110.319 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 32' ' ' ILE . 23.3 t80 -134.03 -60.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 109.455 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 1.014 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -112.53 66.76 0.65 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.06 42.34 19.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.022 -1.049 . . . . 0.0 109.77 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.37 156.59 0.83 Allowed Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 121.013 -1.055 . . . . 0.0 110.268 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.42 146.08 24.31 Favored 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.848 1.699 . . . . 0.0 110.128 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.14 138.79 16.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.33 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -102.36 146.32 28.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 108.863 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.658 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.0 mt -107.48 138.25 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.03 -1.044 . . . . 0.0 110.142 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.74 141.64 38.87 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' OH ' HG23 ' A' ' 65' ' ' THR . 29.1 m-85 -51.69 176.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.797 -1.189 . . . . 0.0 109.926 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.19 170.54 9.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.979 -1.076 . . . . 0.0 109.49 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -92.08 -41.24 10.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 109.447 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 p -96.46 174.46 6.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.097 -1.002 . . . . 0.0 109.41 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -99.11 147.42 25.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.081 -1.012 . . . . 0.0 109.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -58.47 143.31 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.035 -1.04 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.76 -36.01 43.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.08 -1.013 . . . . 0.0 109.782 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 40' ' ' LEU . 1.8 pp -57.54 -24.79 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.854 -1.154 . . . . 0.0 109.575 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.027 0 O-C-N 120.411 -1.43 . . . . 0.0 107.253 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.666 0 N-CA-C 110.494 -0.618 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 61' ' ' VAL . 24.6 m120 -100.64 -177.7 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.02 -1.05 . . . . 0.0 109.396 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -99.96 25.94 6.86 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.01 -1.056 . . . . 0.0 110.74 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 56' ' ' VAL . 97.3 m -169.7 117.43 0.59 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.671 -1.268 . . . . 0.0 110.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 33' ' ' PHE . 19.5 pt -72.02 172.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.913 -1.117 . . . . 0.0 108.348 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 69.2 t80 -147.54 143.55 27.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.964 -1.085 . . . . 0.0 109.656 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.43 132.17 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 14.1 p-10 -129.18 -178.48 4.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t30 58.97 50.91 7.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.993 -1.067 . . . . 0.0 109.118 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 53' ' ' GLN . 1.5 mp -88.81 -177.23 5.46 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.023 -1.048 . . . . 0.0 109.492 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.79 149.01 24.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.084 -1.01 . . . . 0.0 109.25 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.06 56.07 2.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.008 . . . . 0.0 109.549 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -153.52 38.79 0.49 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.976 -1.077 . . . . 0.0 109.652 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.849 HD12 ' CD2' ' A' ' 77' ' ' TYR . 2.8 mm -105.47 154.66 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.078 -1.014 . . . . 0.0 108.655 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 ttmm -97.02 21.84 9.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.057 -1.027 . . . . 0.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 24.6 mtpt 75.57 -75.11 0.07 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.022 0.828 . . . . 0.0 112.258 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.3 -34.46 72.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.411 -1.431 . . . . 0.0 108.288 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.92 -41.45 97.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.967 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.76 HD23 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -55.4 -39.65 70.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.0 -1.062 . . . . 0.0 110.112 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -68.36 -35.25 77.45 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.922 -1.111 . . . . 0.0 110.228 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -26.54 66.03 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.819 -1.176 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' A' ' 76' ' ' PHE . 8.6 t -81.24 -41.98 21.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.689 -1.257 . . . . 0.0 110.426 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 54' ' ' ALA . 29.9 mt -63.4 -49.31 74.31 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.602 ' HD2' HD12 ' A' ' 39' ' ' ILE . 8.2 t-160 -67.13 -15.76 63.91 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.176 -0.953 . . . . 0.0 111.545 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.51 19.45 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.232 -1.543 . . . . 0.0 111.012 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -89.32 -54.83 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 120.72 -1.238 . . . . 0.0 111.473 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 28.2 m-85 -66.32 -36.99 84.32 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.83 -1.169 . . . . 0.0 110.983 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -52.78 -34.23 52.32 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.692 -1.255 . . . . 0.0 110.4 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -50.79 -50.33 56.32 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.625 -1.297 . . . . 0.0 110.058 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -60.12 -56.98 14.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.046 -1.034 . . . . 0.0 109.467 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -148.11 -170.54 16.19 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.09 132.45 33.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.015 -1.285 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' A' ' 30' ' ' HIS . 50.8 mt -90.73 129.66 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.063 -1.023 . . . . 0.0 109.11 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -65.6 -58.82 4.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.127 -0.983 . . . . 0.0 109.472 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.01 144.07 17.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.057 -1.027 . . . . 0.0 110.23 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -115.55 125.4 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -107.98 136.31 47.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.911 -1.118 . . . . 0.0 110.233 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 m -130.49 121.91 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.786 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -112.67 156.14 23.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.12 . . . . 0.0 109.921 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -127.64 38.32 4.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.111 -0.993 . . . . 0.0 109.743 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.8 p -85.55 -174.14 5.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 109.176 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.25 -41.33 98.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.929 -1.107 . . . . 0.0 109.514 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -74.57 -39.86 62.01 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.095 -1.003 . . . . 0.0 109.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.19 59.03 2.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.021 -1.049 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 46.95 0.93 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.952 -1.092 . . . . 0.0 109.41 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.27 60.65 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' HA ' HD13 ' A' ' 16' ' ' LEU . 10.5 pt20 -175.92 153.06 1.3 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.098 -1.236 . . . . 0.0 110.105 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -146.33 152.95 39.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.937 -1.102 . . . . 0.0 110.037 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 41.1 m-85 -110.39 137.43 48.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.029 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' CE1' ' A' ' 58' ' ' PHE . 23.4 t -120.62 127.16 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.996 -1.065 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 92' ' ' ILE . 9.7 mt -104.58 149.99 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.991 -1.068 . . . . 0.0 109.109 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m-85 -131.53 140.25 49.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 0.0 109.601 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HD3' HD11 ' A' ' 40' ' ' LEU . 14.4 ttpt -54.49 114.47 1.68 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.129 -0.982 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 59' ' ' LYS . 6.7 tt0 70.25 145.07 0.06 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.193 -0.942 . . . . 0.0 109.722 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ASN . 35.6 t -74.81 93.31 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.138 -0.976 . . . . 0.0 109.205 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -54.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.139 -0.976 . . . . 0.0 109.395 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.415 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 5.7 m -62.55 -40.07 95.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.165 -0.959 . . . . 0.0 108.417 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -66.47 -32.29 73.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 108.199 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.483 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 21.8 m -57.88 -43.2 85.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.531 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.12 -44.53 91.97 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.044 -1.035 . . . . 0.0 108.556 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -51.83 -32.95 33.84 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.104 -0.998 . . . . 0.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.572 HD22 HG22 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.57 -44.08 65.17 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 108.995 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 56.07 1.9 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 109.248 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 -56.56 0.06 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.101 -0.999 . . . . 0.0 110.057 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 74' ' ' PHE . 88.3 mtp -105.2 37.18 2.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.056 -1.028 . . . . 0.0 109.688 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -59.17 102.92 0.14 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.875 -1.141 . . . . 0.0 109.095 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.46 66.01 2.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CB ' ' HE2' ' A' ' 71' ' ' MET . 0.8 OUTLIER -110.22 171.1 4.66 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.25 . . . . 0.0 109.641 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.3 Cg_endo -78.25 143.82 20.21 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.926 1.751 . . . . 0.0 110.625 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.479 ' CZ ' ' OG ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -157.55 109.3 2.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.849 ' CD2' HD12 ' A' ' 20' ' ' ILE . 94.9 m-85 58.01 42.05 23.27 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.38 68.98 0.72 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.019 -1.05 . . . . 0.0 109.748 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.9 144.34 0.29 Allowed Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 120.947 -1.095 . . . . 0.0 109.952 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 131.85 10.46 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.576 1.517 . . . . 0.0 110.106 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -137.61 119.74 15.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.983 -1.073 . . . . 0.0 110.047 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.65 148.72 24.68 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.114 -0.991 . . . . 0.0 108.878 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.572 HG22 HD22 ' A' ' 68' ' ' LEU . 62.3 mt -105.4 135.49 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.177 -0.952 . . . . 0.0 110.345 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.75 136.32 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 29.7 m-85 -49.79 174.45 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.876 -1.14 . . . . 0.0 110.418 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.95 -176.77 5.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -43.63 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.9 p -115.69 179.72 3.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.994 -1.066 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -81.13 179.04 8.04 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.085 -1.01 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -94.88 151.96 18.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.041 -1.037 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.49 -22.74 23.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.049 -1.032 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.901 HD11 HG21 ' A' ' 57' ' ' ILE . 2.7 pt -57.7 -24.23 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.579 -1.326 . . . . 0.0 109.576 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.718 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 O-C-N 120.508 -1.37 . . . . 0.0 107.698 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.2 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 110.444 -0.637 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 109.374 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.703 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -56.81 -37.85 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.149 -0.969 . . . . 0.0 109.948 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 56' ' ' VAL . 94.0 m -106.82 153.01 23.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.099 . . . . 0.0 110.215 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.834 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.4 pt -113.12 158.56 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 0.0 108.814 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.57 ' O ' HG23 ' A' ' 83' ' ' ILE . 64.7 t80 -125.51 150.02 47.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.064 -1.023 . . . . 0.0 109.773 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.561 HG22 HD21 ' A' ' 16' ' ' LEU . 2.9 mt -132.25 141.42 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 108.979 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.5 p-10 -142.71 -176.49 4.89 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.008 -1.057 . . . . 0.0 109.548 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 61.57 43.64 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.938 -1.101 . . . . 0.0 109.289 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 13' ' ' ILE . 28.2 mt -100.33 -171.52 2.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.026 -1.046 . . . . 0.0 109.266 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.52 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -83.08 152.27 25.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.006 -1.059 . . . . 0.0 109.122 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.23 35.45 2.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.339 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -150.93 35.83 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.882 -1.136 . . . . 0.0 110.108 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.846 HD12 ' CD2' ' A' ' 77' ' ' TYR . 17.9 mm -93.77 154.5 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.861 -1.149 . . . . 0.0 110.071 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -84.13 -178.43 6.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -87.31 -40.7 14.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.996 -1.065 . . . . 0.0 109.092 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -25.77 57.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 108.764 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 41.7 mt-10 -75.96 -45.36 35.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.868 -1.145 . . . . 0.0 110.011 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.729 ' CD1' HG21 ' A' ' 20' ' ' ILE . 6.5 tp -68.3 -31.28 70.6 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.853 -1.154 . . . . 0.0 110.736 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -77.49 -27.1 51.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.7 -1.25 . . . . 0.0 110.359 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -77.32 -28.72 53.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.615 -1.303 . . . . 0.0 110.102 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.6 m -81.05 -39.91 25.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.697 -1.252 . . . . 0.0 110.174 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -55.66 7.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.925 -1.11 . . . . 0.0 109.6 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CA ' HD11 ' A' ' 42' ' ' ILE . 10.2 t-80 -53.31 -27.76 24.73 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.231 -0.918 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.88 -69.63 0.53 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.651 -1.281 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.83 -59.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.002 -1.061 . . . . 0.0 112.005 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 32' ' ' ILE . 81.4 m-85 -60.05 -37.93 81.29 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.86 -1.15 . . . . 0.0 110.711 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.7 t -54.41 -36.24 63.76 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.773 -1.204 . . . . 0.0 110.516 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.04 50.52 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.788 -1.195 . . . . 0.0 110.194 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -63.65 -55.8 20.74 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.36 -161.84 10.34 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -88.19 149.33 23.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.042 -1.269 . . . . 0.0 109.208 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD11 ' N ' ' A' ' 34' ' ' SER . 49.3 mt -111.89 116.38 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.92 -40.35 80.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.065 -1.022 . . . . 0.0 109.797 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.22 162.12 0.8 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.008 -1.057 . . . . 0.0 110.488 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' PHE . 27.0 mt -127.41 145.67 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.101 -0.999 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.66 126.35 51.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.99 -1.069 . . . . 0.0 109.729 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 t -118.35 160.59 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.183 -0.948 . . . . 0.0 108.628 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.86 157.28 43.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.962 -1.086 . . . . 0.0 109.823 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -128.38 37.06 4.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.025 -1.047 . . . . 0.0 109.684 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.5 p -103.53 173.89 6.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.962 -1.086 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.02 -58.57 6.32 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 109.763 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -55.78 -42.68 75.88 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.046 -1.034 . . . . 0.0 109.794 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mmm -101.47 62.07 0.93 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.995 -1.066 . . . . 0.0 109.357 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.28 128.01 55.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.944 -1.098 . . . . 0.0 109.525 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.89 40.06 31.72 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 16' ' ' LEU . 9.2 pt20 -155.16 151.63 28.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.267 . . . . 0.0 109.885 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.74 153.03 38.74 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.004 -1.06 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 42' ' ' ILE . 34.1 m-85 -113.93 135.55 53.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.002 -1.061 . . . . 0.0 109.388 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 10' ' ' THR . 41.4 t -115.99 132.02 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.892 -1.13 . . . . 0.0 109.31 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.877 HG21 HD11 ' A' ' 92' ' ' ILE . 21.4 mt -104.63 121.54 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-85 -100.13 147.8 25.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.085 -1.009 . . . . 0.0 109.097 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -54.09 -39.31 66.22 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.96 -1.088 . . . . 0.0 109.605 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.66 159.53 34.41 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.08 -1.012 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 9' ' ' HIS . 42.5 t -67.35 -34.8 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.129 -0.982 . . . . 0.0 109.993 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -60.97 -37.92 84.12 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.98 -1.075 . . . . 0.0 109.91 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -34.53 72.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.802 -1.186 . . . . 0.0 110.342 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.834 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.83 -29.64 56.0 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.787 -1.196 . . . . 0.0 109.752 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 7.4 m -63.84 -40.79 97.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.842 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.2 -40.86 64.42 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.383 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -25.8 65.48 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.009 -1.057 . . . . 0.0 110.754 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -86.6 -37.89 17.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.543 -1.348 . . . . 0.0 110.456 -179.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -40.22 84.56 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.827 -1.171 . . . . 0.0 109.428 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -85.56 -26.75 25.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.057 -1.027 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.6 mmm -101.28 33.71 2.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.556 -1.34 . . . . 0.0 110.318 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -78.19 98.12 5.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.831 -1.168 . . . . 0.0 108.469 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.5 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -114.48 164.62 15.86 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.269 . . . . 0.0 109.864 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.7 Cg_endo -79.89 114.54 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.999 1.799 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -129.91 114.76 16.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.132 -0.98 . . . . 0.0 108.438 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.846 ' CD2' HD12 ' A' ' 20' ' ' ILE . 88.5 m-85 60.05 42.5 15.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.207 -0.933 . . . . 0.0 109.895 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.84 68.97 0.76 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.103 -0.998 . . . . 0.0 110.756 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 tttp 179.34 141.0 0.29 Allowed Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 120.899 -1.126 . . . . 0.0 110.187 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 114.97 3.66 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.409 1.406 . . . . 0.0 109.706 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.13 127.4 45.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 0.0 110.485 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.7 146.6 24.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.11 -0.994 . . . . 0.0 108.572 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 12' ' ' TYR . 63.5 mt -105.11 134.86 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.955 -1.091 . . . . 0.0 110.396 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.2 135.31 49.53 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 42.3 m-85 -50.44 137.61 18.68 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 120.852 -1.155 . . . . 0.0 110.134 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 176.0 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.072 -1.018 . . . . 0.0 109.69 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -92.88 -41.65 9.94 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 0.0 109.793 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.9 p -113.04 179.58 3.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.647 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.04 -177.6 6.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.078 -1.014 . . . . 0.0 109.203 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -99.96 140.57 34.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.04 -31.34 70.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.182 -0.949 . . . . 0.0 110.455 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 57' ' ' ILE . 1.2 pp -63.26 -25.9 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.696 -1.252 . . . . 0.0 109.257 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.499 2.001 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo . . . . . 0 CA--C 1.534 0.506 0 N-CA-C 110.76 -0.515 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 t-20 -171.5 162.0 6.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.33 -0.856 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.556 ' CG ' HG22 ' A' ' 61' ' ' VAL . 2.1 t-160 -100.82 33.37 2.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.891 -1.131 . . . . 0.0 110.377 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 56' ' ' VAL . 51.1 m -168.66 141.26 2.83 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.812 -1.18 . . . . 0.0 110.125 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 33' ' ' PHE . 45.4 pt -106.36 169.56 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.863 -1.148 . . . . 0.0 108.848 179.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 13.8 t80 -157.09 125.66 5.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 109.904 -178.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG21 ' SD ' ' A' ' 81' ' ' MET . 5.3 mt -106.04 143.32 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.184 -0.948 . . . . 0.0 108.669 179.284 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 29.1 t30 -129.87 48.93 2.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.973 -1.08 . . . . 0.0 109.843 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -147.05 46.26 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.064 -1.022 . . . . 0.0 109.169 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.497 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.4 mm? -93.38 179.2 5.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.0 109.541 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -102.24 165.06 11.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.076 -1.015 . . . . 0.0 109.209 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -97.12 48.26 1.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.367 -0.833 . . . . 0.0 109.844 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.27 37.86 0.49 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.906 -1.121 . . . . 0.0 109.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 25' ' ' LEU . 11.4 mm -92.54 158.83 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.022 -1.049 . . . . 0.0 109.477 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -99.97 27.85 5.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt 65.97 -83.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.368 -0.832 . . . . 0.0 112.277 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.99 -27.95 55.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.225 -1.547 . . . . 0.0 108.853 179.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.36 -44.99 85.89 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.036 -1.04 . . . . 0.0 109.528 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.771 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.9 tp -67.51 -16.26 64.11 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.944 -1.098 . . . . 0.0 111.39 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -84.48 -34.11 23.46 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.456 -1.402 . . . . 0.0 109.711 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -71.59 -36.49 70.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.782 -1.199 . . . . 0.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.9 m -76.97 -40.62 46.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.823 -1.173 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 32' ' ' ILE . 16.7 mt -62.68 -30.33 71.31 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.979 -1.076 . . . . 0.0 110.818 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.766 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.1 t-80 -72.63 -41.28 65.69 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 110.044 -179.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.75 70.73 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.104 -0.997 . . . . 0.0 110.171 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -56.97 -51.08 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.926 -1.109 . . . . 0.0 110.568 -178.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.701 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 29.3 m-85 -96.66 36.88 1.33 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.007 -1.058 . . . . 0.0 111.716 -178.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -111.0 -49.47 3.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.692 -1.255 . . . . 0.0 109.989 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ptm85 -48.21 -28.94 3.31 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.75 -1.218 . . . . 0.0 111.507 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.43 53.68 2.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.586 -1.322 . . . . 0.0 110.85 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.26 -155.82 16.03 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.612 -1.305 . . . . 0.0 110.353 178.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -113.37 150.22 32.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.175 -1.191 . . . . 0.0 109.472 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 30' ' ' HIS . 59.7 mt -102.79 115.37 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.109 -0.995 . . . . 0.0 109.492 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 59' ' ' LYS . 94.9 mt -57.58 -43.66 84.74 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.992 -1.067 . . . . 0.0 109.464 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.01 166.75 1.6 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.024 -1.047 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.47 123.99 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 0.0 109.188 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mp -99.94 134.71 42.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.043 -1.036 . . . . 0.0 109.77 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.4 t -136.1 160.33 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.15 -0.969 . . . . 0.0 108.725 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.37 168.6 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.018 -1.051 . . . . 0.0 110.262 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -129.89 39.29 3.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.977 -1.077 . . . . 0.0 109.712 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 p -90.27 -179.86 5.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.953 -1.092 . . . . 0.0 109.393 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.82 -50.8 54.76 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.998 -1.063 . . . . 0.0 109.485 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.57 -40.0 74.44 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.074 -1.016 . . . . 0.0 109.77 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 mtm -107.27 63.72 0.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.56 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.23 40.44 1.46 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.871 -1.143 . . . . 0.0 109.437 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.93 55.65 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 9.7 pt20 -170.25 152.97 4.29 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.054 -1.262 . . . . 0.0 109.621 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -137.08 153.71 50.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.89 -1.131 . . . . 0.0 110.062 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 12' ' ' TYR . 73.6 m-85 -115.63 135.44 54.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.007 -1.058 . . . . 0.0 109.116 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 10' ' ' THR . 60.3 t -126.99 148.54 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.965 -1.084 . . . . 0.0 109.405 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 1.026 HG21 HD11 ' A' ' 92' ' ' ILE . 36.9 mt -130.04 148.16 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 0.0 109.176 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 27.7 m-85 -120.73 155.9 32.94 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.979 -1.076 . . . . 0.0 109.729 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HA ' HD11 ' A' ' 40' ' ' LEU . 7.8 tttp -54.28 -39.9 67.33 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.005 -1.059 . . . . 0.0 109.439 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -124.13 176.74 6.2 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.137 -0.977 . . . . 0.0 109.23 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.4 t -81.33 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.6 p -56.7 -30.89 63.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.95 -1.094 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -67.58 -39.28 84.87 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.712 -1.243 . . . . 0.0 110.22 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -72.74 -24.12 60.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.912 -1.117 . . . . 0.0 109.595 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -70.03 -40.96 74.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.885 -1.134 . . . . 0.0 109.042 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.09 -42.5 94.01 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.054 -1.029 . . . . 0.0 108.668 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.48 -37.94 68.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.972 -1.08 . . . . 0.0 109.433 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -65.08 -40.32 94.46 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.617 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -94.27 55.88 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.892 -1.13 . . . . 0.0 109.472 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -149.3 -60.07 0.22 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.043 -1.036 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.5 mmm -109.88 38.37 2.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.081 -1.012 . . . . 0.0 109.337 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -67.43 109.07 3.04 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.905 -1.122 . . . . 0.0 109.154 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.14 59.9 4.06 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -131.31 157.7 77.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.093 -1.24 . . . . 0.0 109.647 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.89 131.44 10.09 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.965 1.777 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 8.2 t80 -127.62 -59.86 1.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -0.99 . . . . 0.0 109.229 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.688 ' CE2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -112.96 63.71 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.075 -1.016 . . . . 0.0 109.318 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.21 41.33 10.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.985 -1.072 . . . . 0.0 109.739 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -178.66 152.45 0.76 Allowed Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.104 -0.997 . . . . 0.0 110.063 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.4 149.73 27.84 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.731 1.621 . . . . 0.0 110.192 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.474 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.82 147.73 31.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.992 -1.067 . . . . 0.0 110.183 -179.551 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -107.03 156.44 18.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.938 . . . . 0.0 109.534 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 68' ' ' LEU . 16.8 mm -109.36 129.52 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.06 -1.025 . . . . 0.0 110.049 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.55 133.11 22.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.975 -1.078 . . . . 0.0 108.807 179.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 19.4 m-85 -53.96 171.14 0.11 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.684 -1.26 . . . . 0.0 109.114 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.6 -171.09 3.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.008 -1.058 . . . . 0.0 108.958 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -43.29 20.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.962 -1.086 . . . . 0.0 109.38 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -123.65 179.24 4.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.987 -1.071 . . . . 0.0 109.724 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -66.54 -174.14 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.086 -1.008 . . . . 0.0 108.888 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.603 ' OG ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -97.47 144.15 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.944 -1.097 . . . . 0.0 109.065 179.638 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.92 -39.38 87.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.009 -1.057 . . . . 0.0 110.163 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 1.026 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -58.75 -26.95 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.897 -1.127 . . . . 0.0 110.24 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.603 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.7 mp . . . . . 0 N--CA 1.503 2.199 0 O-C-N 120.448 -1.407 . . . . 0.0 108.659 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.6 Cg_endo . . . . . 0 CA--C 1.536 0.588 0 N-CA-C 110.375 -0.664 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.1 t-20 -128.32 -70.14 0.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.015 . . . . 0.0 109.917 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER 169.56 -44.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.166 -0.959 . . . . 0.0 109.167 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 56' ' ' VAL . 88.6 m -108.77 118.86 37.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 110.272 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -76.29 171.24 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.954 -1.091 . . . . 0.0 108.608 178.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.461 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 52.8 t80 -136.62 117.71 14.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.95 -1.094 . . . . 0.0 109.964 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 29' ' ' LEU . 6.4 mt -90.01 151.31 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.021 -1.049 . . . . 0.0 108.924 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -141.01 160.34 40.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.046 -1.034 . . . . 0.0 109.746 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.69 49.31 0.4 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.863 -1.148 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -83.51 -177.07 6.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.952 -1.092 . . . . 0.0 109.32 179.576 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -99.52 150.22 22.43 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.018 -1.051 . . . . 0.0 109.96 -179.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -105.59 61.3 0.67 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.131 -0.98 . . . . 0.0 109.474 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.9 -59.31 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.078 . . . . 0.0 109.55 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.977 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -54.88 155.49 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 O-C-N 121.158 -0.964 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.85 -170.35 3.03 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.225 -179.069 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -82.82 -36.58 25.41 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.992 -1.067 . . . . 0.0 110.358 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.48 -37.99 77.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.9 -1.125 . . . . 0.0 108.683 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.46 -45.59 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.994 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -65.56 -17.8 64.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.267 -0.896 . . . . 0.0 111.13 179.654 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -77.41 -33.44 55.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.473 -1.392 . . . . 0.0 109.636 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.17 -27.7 63.71 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.717 -1.239 . . . . 0.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -81.95 -41.85 20.24 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.708 -1.245 . . . . 0.0 110.628 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD2' HD13 ' A' ' 13' ' ' ILE . 8.0 mt -69.76 -58.79 3.47 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.798 -1.188 . . . . 0.0 109.849 -179.247 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 8.3 t-80 -52.55 -27.49 16.88 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.113 -0.992 . . . . 0.0 111.047 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.3 -69.13 0.52 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.634 -1.291 . . . . 0.0 110.355 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.29 -57.75 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.943 -1.098 . . . . 0.0 111.607 -178.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.8 m-85 -60.39 -37.59 81.26 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.843 -1.16 . . . . 0.0 110.673 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.404 ' N ' HD11 ' A' ' 39' ' ' ILE . 6.8 t -55.11 -36.42 65.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.788 -1.195 . . . . 0.0 110.239 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -51.88 -46.11 64.38 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.728 -1.232 . . . . 0.0 110.048 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -52.76 -57.39 10.29 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.964 -1.085 . . . . 0.0 109.716 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.15 -120.25 0.92 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.83 130.63 50.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.244 . . . . 0.0 109.284 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 66.0 mt -95.03 136.72 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.008 -1.058 . . . . 0.0 109.544 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mp -90.56 -41.13 11.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.032 -1.042 . . . . 0.0 109.421 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -161.14 160.17 29.91 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.064 -1.022 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 29' ' ' LEU . 13.2 tt -135.69 157.86 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.094 -1.004 . . . . 0.0 108.821 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 55' ' ' PHE . 4.9 mp -131.17 126.15 34.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.895 -1.128 . . . . 0.0 109.943 -179.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 44' ' ' VAL . 23.5 t -123.16 22.34 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -47.29 144.14 2.99 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.787 -1.196 . . . . 0.0 110.567 -179.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' SER . 16.5 mtm180 -97.81 -75.37 0.55 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 46' ' ' ARG . 79.6 p 47.81 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.955 -1.091 . . . . 0.0 110.164 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.97 -37.05 27.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.498 -1.376 . . . . 0.0 109.571 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.03 -41.78 70.36 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.931 -1.105 . . . . 0.0 110.098 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 11.0 mmt -93.97 59.02 2.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.898 -1.126 . . . . 0.0 109.404 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -100.54 46.88 0.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.973 -1.08 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.38 58.56 0.03 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.657 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.1 pt20 -178.4 171.9 1.55 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.126 -1.22 . . . . 0.0 109.953 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -156.56 173.1 17.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.507 -1.371 . . . . 0.0 110.692 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 43' ' ' LEU . 51.7 m-85 -128.11 113.5 15.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.158 -0.964 . . . . 0.0 108.987 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' THR . 42.0 t -103.79 140.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.889 -1.132 . . . . 0.0 109.446 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.68 HG21 HD11 ' A' ' 92' ' ' ILE . 39.7 mt -119.99 145.77 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.009 -1.057 . . . . 0.0 109.378 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' ALA . 16.5 m-85 -119.86 150.61 40.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.931 -1.105 . . . . 0.0 109.285 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -40.77 70.09 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.019 -1.051 . . . . 0.0 109.476 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.7 164.19 15.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.117 -0.99 . . . . 0.0 109.451 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.421 HG22 ' ND1' ' A' ' 9' ' ' HIS . 38.9 t -74.6 -38.7 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.061 -1.024 . . . . 0.0 109.691 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 p -60.3 -34.49 73.85 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.065 -1.022 . . . . 0.0 110.295 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -36.86 77.01 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.832 -1.167 . . . . 0.0 110.338 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.65 -33.15 62.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.827 -1.17 . . . . 0.0 109.367 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.6 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -59.48 -38.77 81.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.986 -1.071 . . . . 0.0 109.436 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -36.85 66.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.959 -1.088 . . . . 0.0 109.479 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.64 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.15 -7.12 54.07 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.878 -1.139 . . . . 0.0 111.512 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -98.86 -42.97 6.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.328 -1.482 . . . . 0.0 110.292 -179.44 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -76.94 -40.23 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.918 -1.114 . . . . 0.0 109.858 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -63.16 -38.86 92.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.997 -1.065 . . . . 0.0 109.653 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.406 ' HB3' HD11 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -107.29 37.91 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.986 -1.071 . . . . 0.0 109.79 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 98.25 9.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.008 -1.057 . . . . 0.0 109.107 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.41 55.2 2.51 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -123.47 156.41 64.18 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.04 -1.27 . . . . 0.0 109.636 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.68 135.72 14.69 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.824 1.682 . . . . 0.0 110.093 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -137.12 -59.81 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.045 -1.035 . . . . 0.0 109.663 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.977 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -110.62 66.78 0.63 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.029 -1.044 . . . . 0.0 109.825 -179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.3 40.33 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.0 109.907 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 178.72 155.98 0.59 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.963 -1.085 . . . . 0.0 110.135 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.99 147.49 23.99 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.893 1.729 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.57 137.9 24.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.984 -1.073 . . . . 0.0 109.853 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -101.28 150.98 22.42 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.985 . . . . 0.0 109.208 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 68' ' ' LEU . 63.4 mt -112.85 141.82 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.14 -0.975 . . . . 0.0 109.875 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -146.93 135.78 22.25 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 109.019 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' OH ' HG23 ' A' ' 65' ' ' THR . 30.7 m-85 -48.03 170.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.908 -1.12 . . . . 0.0 110.762 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.15 -170.1 2.94 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.076 -1.015 . . . . 0.0 109.591 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -87.74 -46.9 9.07 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.18 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.7 p -122.31 179.62 4.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 109.818 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.76 -179.31 2.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.091 -1.006 . . . . 0.0 109.208 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.428 ' HG ' HG12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -93.52 156.22 16.87 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.031 -1.043 . . . . 0.0 109.659 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.47 -32.76 23.82 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.011 . . . . 0.0 110.116 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pt -60.26 -27.26 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.719 -1.238 . . . . 0.0 110.254 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.528 -1.357 . . . . 0.0 109.075 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 110.522 -0.607 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -139.31 -168.19 2.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.011 -1.055 . . . . 0.0 108.68 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HD1' HG22 ' A' ' 61' ' ' VAL . 2.0 p-80 -120.79 49.79 1.42 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.805 -1.184 . . . . 0.0 109.268 179.367 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HG13 ' A' ' 57' ' ' ILE . 8.3 m -144.78 86.16 1.79 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 108.954 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 68' ' ' LEU . 26.0 pt -68.26 168.39 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.059 -1.025 . . . . 0.0 109.832 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 46.8 t80 -150.08 138.92 20.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.113 -0.992 . . . . 0.0 109.235 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.8 133.49 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.072 -1.018 . . . . 0.0 109.01 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 9.6 p-10 -129.06 40.06 3.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.154 -0.966 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -141.81 42.56 1.71 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.059 -1.025 . . . . 0.0 109.168 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 3.6 mp -96.28 -178.38 4.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.158 -0.964 . . . . 0.0 109.502 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' HD11 ' A' ' 20' ' ' ILE . 49.6 t30 -77.49 157.82 30.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.026 -1.046 . . . . 0.0 108.989 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.91 35.4 2.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.16 -0.962 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -150.07 35.87 0.67 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.864 -1.148 . . . . 0.0 109.782 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.885 HD12 ' CD2' ' A' ' 77' ' ' TYR . 15.3 mm -95.61 154.21 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.935 -1.103 . . . . 0.0 110.004 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.07 -179.67 7.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -86.16 -39.99 16.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.893 -1.129 . . . . 0.0 109.168 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.34 -27.43 56.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 108.729 178.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.1 tt0 -72.78 -45.03 60.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.853 -1.155 . . . . 0.0 110.168 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.739 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.62 -35.43 78.92 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.875 -1.141 . . . . 0.0 110.276 -179.494 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -22.43 59.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.872 -1.143 . . . . 0.0 110.649 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -80.0 -31.86 39.69 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.506 -1.371 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.8 m -77.11 -38.29 52.52 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.712 -1.242 . . . . 0.0 110.21 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.68 -51.91 17.45 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.85 -1.156 . . . . 0.0 109.636 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' OG ' ' A' ' 34' ' ' SER . 2.3 t-80 -53.29 -28.62 28.94 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.122 -0.986 . . . . 0.0 110.764 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.38 -68.46 0.66 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.697 -1.252 . . . . 0.0 110.087 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -44.76 -59.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.967 -1.083 . . . . 0.0 112.346 -178.559 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' HG21 ' A' ' 56' ' ' VAL . 23.6 m-85 -62.88 -40.83 98.74 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.751 -1.218 . . . . 0.0 111.229 -178.589 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 20.3 p -52.34 -33.67 43.83 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.746 -1.221 . . . . 0.0 110.631 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -54.31 -49.85 68.7 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.686 -1.259 . . . . 0.0 109.793 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -55.47 -59.64 4.53 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 109.766 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.72 -148.35 4.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -98.82 144.05 28.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.071 -1.253 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 57' ' ' ILE . 45.3 mt -106.45 136.04 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.087 -1.008 . . . . 0.0 109.199 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 59' ' ' LYS . 92.2 mt -76.36 -42.14 45.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.951 -1.093 . . . . 0.0 109.367 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -176.46 152.85 1.1 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.169 -0.957 . . . . 0.0 110.497 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.438 HG12 HG13 ' A' ' 56' ' ' VAL . 46.5 mt -122.96 130.44 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 108.955 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.01 108.0 17.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.005 -1.059 . . . . 0.0 109.924 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.31 143.63 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.06 -1.025 . . . . 0.0 108.951 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -125.26 147.2 49.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.875 -1.141 . . . . 0.0 109.82 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -122.82 36.53 4.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 109.888 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.4 p -93.28 176.11 6.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.874 -1.141 . . . . 0.0 109.045 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tt -66.22 -56.8 9.54 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.924 -1.11 . . . . 0.0 109.567 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.57 -41.04 89.26 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.035 -1.041 . . . . 0.0 109.369 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.93 60.46 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.95 137.38 40.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 109.52 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 60.96 39.57 97.2 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -133.28 158.19 43.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.022 -1.281 . . . . 0.0 109.308 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.7 141.06 17.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.988 -1.07 . . . . 0.0 110.478 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 87.0 m-85 -111.12 141.46 44.59 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.068 -1.02 . . . . 0.0 108.945 179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 33' ' ' PHE . 19.3 t -134.75 126.09 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.927 -1.108 . . . . 0.0 109.175 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.828 HG13 HG23 ' A' ' 10' ' ' THR . 4.6 mp -110.66 157.61 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.05 -1.031 . . . . 0.0 108.512 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.926 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 81.5 m-85 -128.09 155.89 43.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.027 -1.046 . . . . 0.0 109.78 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.3 tttm -44.52 -34.64 2.17 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.473 -0.767 . . . . 0.0 111.459 -178.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -151.49 -174.06 4.71 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.766 -1.209 . . . . 0.0 110.22 -179.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.627 HG22 ' HD1' ' A' ' 9' ' ' HIS . 3.1 t -85.07 87.03 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.242 -0.911 . . . . 0.0 109.257 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -49.45 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.098 -1.001 . . . . 0.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 8.5 t -63.21 -37.43 87.2 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.976 -1.077 . . . . 0.0 109.31 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -71.6 -37.23 70.99 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.809 -1.182 . . . . 0.0 108.4 178.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 16.2 m -55.66 -37.98 68.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -0.955 . . . . 0.0 109.92 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -73.79 -36.06 64.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.966 -1.084 . . . . 0.0 109.523 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -74.95 -8.41 56.42 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.799 -1.188 . . . . 0.0 111.108 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -99.29 -37.15 9.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.351 -1.468 . . . . 0.0 110.658 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -83.35 -31.75 26.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.753 -1.217 . . . . 0.0 110.93 -179.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.49 24.77 6.27 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.744 -1.222 . . . . 0.0 111.356 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 10.1 mtp -147.05 40.59 1.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.546 -1.346 . . . . 0.0 109.661 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.62 102.41 12.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.982 -1.074 . . . . 0.0 109.139 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.26 56.57 2.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -99.65 163.57 18.25 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.169 -1.195 . . . . 0.0 109.591 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 124.68 6.35 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 122.058 1.839 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -147.55 107.49 4.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 109.179 179.787 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.885 ' CD2' HD12 ' A' ' 20' ' ' ILE . 95.0 m-85 59.08 44.29 16.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 0.0 109.693 -179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.61 65.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -179.95 142.41 0.35 Allowed Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.919 -1.113 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.72 125.08 6.56 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 121.63 1.553 . . . . 0.0 109.837 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.48 135.43 51.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.963 -1.086 . . . . 0.0 110.138 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -103.86 150.66 23.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.129 -0.982 . . . . 0.0 109.064 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' HG ' ' A' ' 68' ' ' LEU . 64.2 mt -111.16 138.48 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 0.0 110.273 -179.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.531 ' C ' HD11 ' A' ' 68' ' ' LEU . 21.7 pt20 -149.43 136.59 19.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -0.924 . . . . 0.0 108.855 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 17.3 m-85 -48.73 166.43 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.88 -1.137 . . . . 0.0 110.185 -179.263 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.2 176.3 7.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.003 -1.06 . . . . 0.0 109.52 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -80.23 -49.02 12.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.123 -0.985 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.8 p -106.91 179.72 4.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.125 -0.984 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -89.24 179.53 6.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.053 -1.03 . . . . 0.0 109.234 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 t -86.43 156.44 20.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.014 -1.054 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -75.99 -29.69 58.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.01 -1.056 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.624 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.0 pp -60.3 -24.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.729 -1.232 . . . . 0.0 109.189 178.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.637 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.141 0 O-C-N 120.477 -1.389 . . . . 0.0 107.805 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.3 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 N-CA-C 110.443 -0.637 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.3 m120 -103.72 -175.22 2.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.063 -1.023 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -102.4 36.26 2.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.032 -1.042 . . . . 0.0 109.869 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 90' ' ' SER . 60.4 m -167.29 109.03 0.64 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.853 -1.154 . . . . 0.0 109.981 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.695 HG23 ' HB1' ' A' ' 64' ' ' ALA . 27.7 pt -77.0 164.67 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.911 -1.118 . . . . 0.0 109.527 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 40.3 t80 -139.98 148.13 41.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.967 . . . . 0.0 109.111 -179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 16' ' ' LEU . 3.1 mt -128.55 143.7 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.377 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.01 -176.94 4.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.037 -1.039 . . . . 0.0 109.415 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.94 45.09 15.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.867 -1.145 . . . . 0.0 109.254 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 13' ' ' ILE . 4.9 mp -92.29 -176.14 4.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.053 -1.029 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -84.11 152.76 24.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.005 -1.059 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.55 49.3 0.98 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 0.0 109.712 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -152.14 37.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.007 -1.058 . . . . 0.0 109.935 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 25' ' ' LEU . 13.2 mm -91.68 155.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -100.98 27.58 5.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.917 . . . . 0.0 111.333 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 69.1 -82.56 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.467 -0.77 . . . . 0.0 112.032 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.52 -27.06 62.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.358 -1.464 . . . . 0.0 108.806 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.97 -43.5 92.44 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.003 -1.061 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.783 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.5 tp -67.48 -18.5 65.09 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.869 -1.144 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -81.69 -35.75 29.49 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.46 -1.4 . . . . 0.0 109.872 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -71.13 -36.42 72.11 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.815 -1.178 . . . . 0.0 109.865 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -74.65 -38.68 62.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.863 -1.148 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 25' ' ' LEU . 13.7 mt -65.37 -31.01 71.9 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.929 -1.107 . . . . 0.0 110.542 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -70.04 -26.47 64.05 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.749 -1.22 . . . . 0.0 111.149 -179.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -47.22 10.72 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.55 -1.344 . . . . 0.0 110.48 -179.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -60.81 -49.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 120.904 -1.122 . . . . 0.0 110.664 -179.016 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' C ' HD11 ' A' ' 39' ' ' ILE . 55.2 m-85 -91.24 23.7 3.22 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.036 -1.04 . . . . 0.0 112.665 -178.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -102.64 -44.99 5.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.34 -1.475 . . . . 0.0 110.225 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -47.05 -32.56 4.12 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.842 -1.161 . . . . 0.0 110.926 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 59.6 m-85 -56.46 -64.18 0.95 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.76 -1.212 . . . . 0.0 109.923 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.54 61.36 0.15 Allowed Glycine 0 N--CA 1.5 2.924 0 C-N-CA 119.466 -1.349 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 61.44 148.83 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.388 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 42' ' ' ILE . 44.5 mt -119.0 143.45 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.007 -1.058 . . . . 0.0 108.995 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' CD2' HD12 ' A' ' 92' ' ' ILE . 7.3 mp -86.0 -63.05 1.38 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.877 -179.749 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.78 155.69 42.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.839 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 39' ' ' ILE . 64.4 mt -141.94 113.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.406 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.71 167.99 12.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.115 -0.991 . . . . 0.0 109.3 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.65 -178.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.966 -1.084 . . . . 0.0 109.101 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -54.17 175.67 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.898 -1.126 . . . . 0.0 109.533 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.0 OUTLIER 179.29 48.21 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.989 -1.069 . . . . 0.0 110.667 -179.352 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 3.5 p 157.54 175.53 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.836 0 O-C-N 121.445 -0.785 . . . . 0.0 109.336 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.21 -52.16 50.64 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.899 -1.126 . . . . 0.0 109.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -49.12 -36.75 19.74 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.045 -1.034 . . . . 0.0 110.633 -179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mmm -102.41 62.49 0.86 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.898 -1.126 . . . . 0.0 109.655 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 57.79 0.83 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 109.38 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.03 59.69 0.02 OUTLIER Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 1.3 pm0 -175.02 155.3 1.97 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.044 -1.268 . . . . 0.0 110.157 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.4 7.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.037 -1.039 . . . . 0.0 109.872 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -135.53 127.74 30.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.0 109.132 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 61.0 t -122.92 137.21 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.797 ' CG2' HD11 ' A' ' 92' ' ' ILE . 3.7 mt -122.6 126.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.111 -0.993 . . . . 0.0 108.695 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 33' ' ' PHE . 67.5 m-85 -96.65 159.91 14.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.944 -1.097 . . . . 0.0 109.517 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 40' ' ' LEU . 23.3 tttt -56.98 -40.17 76.03 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.044 -1.035 . . . . 0.0 109.234 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.77 172.12 7.74 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.1 -1.0 . . . . 0.0 109.365 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 8' ' ' ASN . 42.0 t -81.3 -35.94 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.109 -0.995 . . . . 0.0 109.855 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.8 p -58.72 -36.61 74.56 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.905 -1.122 . . . . 0.0 110.132 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -37.15 83.06 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.812 -1.18 . . . . 0.0 110.211 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -71.41 -28.69 64.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.866 -1.146 . . . . 0.0 109.336 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.478 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.9 m -65.66 -41.08 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.94 -1.1 . . . . 0.0 109.43 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.46 -42.18 92.6 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 108.821 179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -55.5 -36.32 66.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.062 -1.024 . . . . 0.0 109.756 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -69.61 -38.24 77.17 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.918 -1.114 . . . . 0.0 109.774 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -92.36 13.23 20.04 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.928 -1.108 . . . . 0.0 111.367 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.64 -51.24 3.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.408 -1.432 . . . . 0.0 109.308 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mtp -110.12 39.99 2.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.045 . . . . 0.0 109.402 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 112.75 1.59 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.27 65.44 3.37 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -127.5 160.1 62.19 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.084 -1.245 . . . . 0.0 109.675 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.19 133.83 12.45 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.865 1.71 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.48 ' CE1' HD13 ' A' ' 32' ' ' ILE . 18.5 t80 -125.1 -60.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 108.996 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.682 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -115.76 64.37 0.69 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.02 -1.05 . . . . 0.0 109.094 179.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 61.97 44.76 7.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.926 -1.109 . . . . 0.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.34 146.11 0.53 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.082 -1.011 . . . . 0.0 110.021 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.87 148.08 27.9 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.611 1.541 . . . . 0.0 110.093 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.43 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -151.27 138.18 19.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 110.421 -179.535 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 150.89 20.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 108.684 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 68' ' ' LEU . 63.3 mt -110.18 136.61 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.531 -179.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -133.03 140.36 47.69 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 7.1 m-85 -51.42 172.92 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.873 -1.142 . . . . 0.0 109.696 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -89.71 172.12 9.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.001 -1.062 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.92 -43.18 9.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.989 -1.069 . . . . 0.0 109.167 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -109.86 179.37 4.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.96 167.34 11.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.027 -1.046 . . . . 0.0 109.196 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 1.7 t -94.22 165.95 12.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -98.55 -13.49 20.41 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.04 -1.038 . . . . 0.0 111.412 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.797 HD11 ' CG2' ' A' ' 57' ' ' ILE . 2.5 pt -57.02 -24.31 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.346 -1.471 . . . . 0.0 109.647 178.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.709 HD13 HG13 ' A' ' 92' ' ' ILE . 1.2 mm . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.571 -1.331 . . . . 0.0 107.6 178.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo . . . . . 0 CA--C 1.537 0.637 0 N-CA-C 110.491 -0.619 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 61' ' ' VAL . 20.8 m120 -142.64 178.35 7.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.084 -1.01 . . . . 0.0 109.301 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.57 32.11 3.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.071 . . . . 0.0 110.252 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 56' ' ' VAL . 90.4 m -168.36 127.96 1.22 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.942 -1.099 . . . . 0.0 109.876 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CE1' ' A' ' 33' ' ' PHE . 1.2 pp -90.18 171.65 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.927 -1.108 . . . . 0.0 108.99 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 21.5 t80 -147.98 121.47 9.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.995 -1.065 . . . . 0.0 109.652 -178.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.1 mt -109.8 141.76 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.983 -1.073 . . . . 0.0 109.365 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -138.08 -174.01 3.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.048 -1.032 . . . . 0.0 109.654 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 60.4 43.58 13.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.025 -1.047 . . . . 0.0 109.403 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 53' ' ' GLN . 19.6 mt -93.52 -179.64 5.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -75.94 153.15 36.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.044 -1.035 . . . . 0.0 109.523 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -101.6 50.31 0.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.0 109.634 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -153.73 39.67 0.49 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.009 -1.057 . . . . 0.0 109.665 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 25' ' ' LEU . 4.1 mt -109.31 159.08 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 108.954 -179.338 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.9 mmmt -112.22 29.83 7.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.001 -1.079 . . . . 0.0 112.721 -178.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 81.05 -67.02 0.12 Allowed 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 118.915 0.779 . . . . 0.0 112.171 178.21 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -56.86 -27.79 60.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.561 -1.337 . . . . 0.0 109.184 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' HB3' HG23 ' A' ' 20' ' ' ILE . 1.6 tt0 -65.97 -46.69 77.19 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.127 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.84 ' HG ' HG21 ' A' ' 20' ' ' ILE . 82.8 mt -67.91 -14.73 63.2 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.961 -1.087 . . . . 0.0 111.362 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -89.02 -26.77 21.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.298 -1.501 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -80.39 -31.62 37.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.57 -1.331 . . . . 0.0 109.528 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.2 m -87.83 -38.2 15.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.811 -1.18 . . . . 0.0 110.129 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.43 -51.33 15.23 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.894 -1.129 . . . . 0.0 109.393 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.55 -27.89 41.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 110.53 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.17 -69.42 0.58 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.595 -1.316 . . . . 0.0 110.162 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -47.01 -59.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.869 -1.144 . . . . 0.0 112.179 -178.488 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 32' ' ' ILE . 83.9 m-85 -60.38 -34.21 73.56 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.721 -1.237 . . . . 0.0 111.398 -178.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.518 ' N ' HD11 ' A' ' 39' ' ' ILE . 30.1 p -62.65 -32.0 72.96 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.648 -1.283 . . . . 0.0 110.767 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -35.47 18.71 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.63 -1.294 . . . . 0.0 110.624 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD1' ' OD1' ' A' ' 66' ' ' ASN . 82.8 m-85 -93.01 63.83 3.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.833 -1.167 . . . . 0.0 109.994 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.11 -139.51 14.44 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -129.85 149.49 51.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.24 . . . . 0.0 109.553 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.518 HD11 ' N ' ' A' ' 34' ' ' SER . 38.3 mt -101.0 119.71 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.06 -43.17 91.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.032 -1.043 . . . . 0.0 109.122 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.75 161.15 0.97 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.283 -0.886 . . . . 0.0 110.276 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.95 129.35 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.26 117.5 34.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.968 -1.082 . . . . 0.0 109.887 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 25' ' ' LEU . 7.2 t -113.51 160.57 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 108.594 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.82 169.53 20.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.914 -1.116 . . . . 0.0 110.149 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -136.39 39.69 2.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 0.0 109.68 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.4 p -89.29 176.28 7.0 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.984 -1.072 . . . . 0.0 108.728 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.0 -57.43 13.1 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.929 -1.107 . . . . 0.0 109.479 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -59.64 -40.63 88.3 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.077 -1.014 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.402 ' HG3' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -98.81 59.16 1.21 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.969 -1.082 . . . . 0.0 109.309 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 54.79 0.82 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.67 60.25 0.06 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.3 pt20 -176.86 153.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.055 -1.262 . . . . 0.0 110.091 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.17 10.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.947 -1.096 . . . . 0.0 110.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 32.1 m-85 -126.85 144.02 51.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.104 -0.998 . . . . 0.0 109.186 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 10' ' ' THR . 24.4 t -122.22 143.57 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.05 -1.031 . . . . 0.0 109.692 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.641 ' CG2' HD11 ' A' ' 93' ' ' ILE . 11.3 mt -111.59 147.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.031 -1.043 . . . . 0.0 108.787 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 71.4 m-85 -126.92 146.09 50.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.005 . . . . 0.0 109.731 -179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -49.84 -39.23 38.28 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.046 -1.034 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -129.32 167.43 17.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.098 -1.002 . . . . 0.0 109.266 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 8' ' ' ASN . 44.0 t -72.8 -38.5 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.085 -1.009 . . . . 0.0 109.624 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -61.04 -35.99 78.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.005 -1.059 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -56.8 -36.51 69.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.756 -1.215 . . . . 0.0 110.397 -179.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -74.56 -32.92 62.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.142 . . . . 0.0 109.414 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.631 HG23 ' OH ' ' A' ' 85' ' ' TYR . 2.2 m -60.16 -38.91 84.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.01 -1.056 . . . . 0.0 109.854 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' OD1' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -73.29 -38.49 65.86 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 109.446 179.83 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -70.11 -13.27 62.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.903 -1.123 . . . . 0.0 111.398 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -94.87 -40.37 9.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.351 -1.468 . . . . 0.0 110.289 -179.229 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -68.72 -39.69 80.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.918 -1.114 . . . . 0.0 109.869 -179.673 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 m -67.15 -37.52 83.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.997 -1.064 . . . . 0.0 109.788 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' ILE . 94.6 mmm -105.5 36.39 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.896 -1.127 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -73.39 108.74 6.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.819 -1.175 . . . . 0.0 108.941 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.42 73.8 0.46 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -121.69 162.98 33.73 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.044 -1.268 . . . . 0.0 109.906 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.39 115.5 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.121 1.88 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -140.05 130.4 25.31 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.017 -1.052 . . . . 0.0 108.483 179.538 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CD2' HG12 ' A' ' 20' ' ' ILE . 10.5 m-85 59.77 38.68 21.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.94 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 54.57 64.59 1.76 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.899 -1.126 . . . . 0.0 110.368 179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tttt 179.12 143.72 0.33 Allowed Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 120.776 -1.202 . . . . 0.0 110.079 179.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.61 117.95 4.42 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.502 1.468 . . . . 0.0 109.787 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -126.46 127.14 44.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.989 -1.07 . . . . 0.0 110.232 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -96.59 149.44 21.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.118 -0.989 . . . . 0.0 108.693 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.7 mt -107.41 137.49 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.079 -1.013 . . . . 0.0 110.268 -179.397 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.47 141.14 37.4 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.631 ' OH ' HG23 ' A' ' 65' ' ' THR . 18.2 m-85 -52.55 177.71 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.803 -1.186 . . . . 0.0 109.867 -179.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.13 -179.64 4.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.971 -1.081 . . . . 0.0 109.54 -179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -52.46 6.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.118 -0.989 . . . . 0.0 108.754 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -117.81 179.8 3.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.119 -0.988 . . . . 0.0 109.22 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 177.38 8.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.04 -1.038 . . . . 0.0 109.097 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 165.51 22.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.948 -1.095 . . . . 0.0 109.179 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -34.37 34.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 -179.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 57' ' ' ILE . 39.7 pt -63.51 -37.18 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.809 -1.182 . . . . 0.0 109.882 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.2 mp . . . . . 0 N--CA 1.505 2.312 0 O-C-N 120.817 -1.177 . . . . 0.0 108.446 178.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 Cg_endo . . . . . 0 CA--C 1.537 0.649 0 N-CA-C 110.144 -0.752 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.88 40.4 3.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.077 -1.015 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CD2' HG21 ' A' ' 93' ' ' ILE . 1.7 t60 58.97 23.09 11.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 111.148 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 9' ' ' HIS . 55.1 m -169.41 143.14 2.79 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.51 -1.369 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.512 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.4 pt -108.93 164.56 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.915 -1.116 . . . . 0.0 108.915 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.28 129.7 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.76 138.5 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.023 -1.048 . . . . 0.0 109.281 179.751 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.11 -172.44 2.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 109.444 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 61.99 43.79 8.75 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.909 -1.119 . . . . 0.0 109.552 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 53' ' ' GLN . 9.4 mp -93.72 -179.33 4.97 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.007 -1.058 . . . . 0.0 109.324 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -89.36 149.12 23.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 109.029 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.0 44.04 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.0 109.802 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -141.71 30.27 1.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.997 -1.064 . . . . 0.0 110.161 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 24' ' ' GLU . 1.1 mp -120.09 155.14 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.861 -1.149 . . . . 0.0 108.885 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.88 -171.8 3.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.209 -0.932 . . . . 0.0 109.658 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -37.07 27.89 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.139 -0.976 . . . . 0.0 109.817 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.11 -29.3 69.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.093 -1.004 . . . . 0.0 108.78 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.756 ' HB2' HG22 ' A' ' 20' ' ' ILE . 26.9 mt-10 -73.56 -54.81 7.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 109.414 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.892 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -55.4 -25.05 33.48 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.114 . . . . 0.0 111.352 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -82.39 -34.65 28.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.444 -1.41 . . . . 0.0 110.256 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -72.03 -22.72 61.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.722 -1.236 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -43.56 10.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.54 -1.35 . . . . 0.0 110.283 -179.57 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.892 HD11 HD12 ' A' ' 25' ' ' LEU . 19.8 mt -72.55 -57.18 4.35 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.024 -1.048 . . . . 0.0 109.648 -179.397 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.579 ' HA ' HD11 ' A' ' 42' ' ' ILE . 17.0 t-80 -50.51 -29.28 10.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.204 -0.935 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.73 -69.7 0.53 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.689 -1.257 . . . . 0.0 110.207 -179.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.63 -60.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 112.255 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 56' ' ' VAL . 55.6 m-85 -60.55 -37.56 81.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.685 -1.26 . . . . 0.0 110.732 -178.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.56 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.0 t -54.39 -35.62 63.05 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.67 -1.269 . . . . 0.0 110.478 -179.292 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -49.61 -47.73 49.47 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.783 -1.198 . . . . 0.0 110.253 -179.523 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' A' ' 66' ' ' ASN . 97.0 m-85 -61.63 -56.69 17.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.989 -1.069 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.55 -164.04 11.88 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.84 150.48 25.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.24 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.56 HD11 ' N ' ' A' ' 34' ' ' SER . 45.4 mt -110.91 116.96 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -57.8 -45.21 86.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.991 -1.068 . . . . 0.0 109.526 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -179.16 151.24 0.49 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.021 -1.05 . . . . 0.0 110.502 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.2 mt -115.5 139.1 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.996 -1.065 . . . . 0.0 109.195 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -110.4 133.79 52.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.082 -1.011 . . . . 0.0 109.999 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.97 122.16 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.136 -0.977 . . . . 0.0 108.913 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.1 m -106.68 168.24 9.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.029 -1.044 . . . . 0.0 109.796 -179.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 38.19 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.025 -1.047 . . . . 0.0 109.824 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.9 p -92.59 -173.36 3.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.014 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.59 -51.27 15.02 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.966 -1.083 . . . . 0.0 109.545 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -58.8 -40.81 85.14 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.049 -1.032 . . . . 0.0 109.352 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 ttm -101.37 51.5 0.84 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.988 -1.07 . . . . 0.0 109.413 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.44 50.55 0.94 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.99 -1.069 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.08 57.69 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.1 pt20 -178.29 152.92 0.72 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.123 -1.222 . . . . 0.0 110.105 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.33 150.91 33.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.938 -1.101 . . . . 0.0 109.959 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -104.11 148.2 26.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.013 -1.055 . . . . 0.0 109.164 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 33' ' ' PHE . 47.1 t -124.78 125.1 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.904 -1.123 . . . . 0.0 109.15 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 92' ' ' ILE . 42.0 mt -98.14 119.94 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.034 -1.041 . . . . 0.0 109.123 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.44 146.82 24.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.99 -1.069 . . . . 0.0 108.824 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -51.02 -38.8 53.59 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.949 -1.094 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -129.13 169.13 15.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.057 -1.027 . . . . 0.0 109.169 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.62 -33.99 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.105 -0.997 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -59.09 -36.21 74.73 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.865 -1.147 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 4.2 m -61.23 -36.46 80.02 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.843 -1.161 . . . . 0.0 110.415 -179.396 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.81 -26.74 59.94 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.752 -1.218 . . . . 0.0 109.804 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.469 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 3.2 m -66.99 -40.52 87.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.799 -1.188 . . . . 0.0 109.493 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.1 t-20 -72.04 -37.0 69.8 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.011 -1.055 . . . . 0.0 109.76 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.28 64.99 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.895 -1.128 . . . . 0.0 110.623 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 83' ' ' ILE . 2.6 tp -81.89 -56.62 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.534 -1.354 . . . . 0.0 110.206 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -65.21 -17.67 64.67 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.07 -1.019 . . . . 0.0 111.469 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 66' ' ' ASN . 16.7 p -90.02 -38.28 13.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.491 -1.381 . . . . 0.0 110.05 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtp -104.88 37.34 2.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.873 -1.142 . . . . 0.0 109.745 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.62 96.3 0.93 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.946 -1.096 . . . . 0.0 109.0 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.47 75.49 0.78 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.92 165.75 16.96 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.025 -1.279 . . . . 0.0 109.751 -179.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.01 114.3 3.36 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 122.063 1.842 . . . . 0.0 110.539 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -145.93 131.17 18.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.013 -1.054 . . . . 0.0 109.076 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HE2' HG21 ' A' ' 20' ' ' ILE . 7.9 m-85 60.6 39.02 18.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 0.0 109.88 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.01 62.25 2.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.944 -1.098 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 176.43 150.01 0.32 Allowed Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 120.788 -1.195 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.6 123.39 6.42 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.551 1.5 . . . . 0.0 109.827 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.84 118.1 23.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.4 -179.416 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -91.42 140.86 29.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.005 . . . . 0.0 108.323 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 68' ' ' LEU . 62.6 mt -98.88 136.55 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.986 -1.072 . . . . 0.0 110.377 -179.315 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 134.13 47.43 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -50.87 173.34 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.901 -1.124 . . . . 0.0 109.773 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.15 162.35 13.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.974 -1.079 . . . . 0.0 109.95 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.13 -46.6 16.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.083 -1.011 . . . . 0.0 109.225 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.2 p -106.86 179.97 4.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.186 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.5 179.56 4.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.005 -1.059 . . . . 0.0 109.808 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 t -80.53 147.3 30.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.194 -0.941 . . . . 0.0 109.277 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.93 -23.93 60.75 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.138 -0.976 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 57' ' ' ILE . 33.1 pt -69.12 -40.62 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.564 -1.335 . . . . 0.0 110.003 -179.375 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.548 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 O-C-N 120.765 -1.209 . . . . 0.0 109.807 178.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 CA--C 1.535 0.547 0 N-CA-C 110.526 -0.605 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -91.45 -178.35 5.08 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.34 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HA ' HG23 ' A' ' 61' ' ' VAL . 1.4 t-80 -112.44 38.63 2.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 110.255 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 34.8 m -167.23 105.75 0.56 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.878 -1.139 . . . . 0.0 110.287 179.248 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.4 pp -67.4 168.87 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.01 -1.056 . . . . 0.0 108.821 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 52.4 t80 -157.44 142.14 16.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.777 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -130.66 134.99 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.165 -0.959 . . . . 0.0 108.711 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.438 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 10.6 p-10 -126.4 41.83 3.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.961 -1.087 . . . . 0.0 109.669 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -144.86 43.29 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.099 -1.0 . . . . 0.0 109.329 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.6 mp -92.82 178.83 5.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.39 156.38 29.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.102 -0.999 . . . . 0.0 109.117 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.78 38.83 1.46 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 109.96 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.58 36.42 0.57 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.866 -1.146 . . . . 0.0 110.06 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.901 HD12 ' CD2' ' A' ' 77' ' ' TYR . 9.1 mm -96.15 151.68 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.917 -1.115 . . . . 0.0 109.644 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 177.55 8.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -79.15 -40.74 30.16 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.913 -1.117 . . . . 0.0 109.102 179.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.44 -14.32 60.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.175 -0.953 . . . . 0.0 109.429 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.644 ' HB2' HG22 ' A' ' 20' ' ' ILE . 29.7 mt-10 -83.08 -41.98 17.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.609 -1.307 . . . . 0.0 110.027 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 29' ' ' LEU . 10.1 mt -70.15 -35.64 74.18 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.141 -179.622 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -77.29 -30.1 54.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.857 -1.152 . . . . 0.0 110.509 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.4 -24.62 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.691 -1.256 . . . . 0.0 110.628 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 23.2 t -87.62 -36.35 17.54 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.515 -1.365 . . . . 0.0 110.471 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.8 mt -72.2 -43.51 64.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.822 -1.174 . . . . 0.0 109.432 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -66.03 -25.81 67.23 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.137 -0.977 . . . . 0.0 110.418 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -77.7 -68.33 0.64 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.598 -1.314 . . . . 0.0 110.042 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -52.08 -56.26 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 111.225 -178.818 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 40.3 m-85 -58.19 -43.42 87.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.816 -1.177 . . . . 0.0 110.812 -178.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.441 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.7 p -53.91 -35.89 62.13 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.869 -1.145 . . . . 0.0 110.586 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -54.75 -47.42 73.87 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.704 -1.248 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CE1' ' CB ' ' A' ' 70' ' ' SER . 92.4 m-85 -58.88 -58.52 8.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.074 -1.016 . . . . 0.0 109.553 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.95 -157.43 7.71 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -92.95 133.89 35.66 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.106 -1.232 . . . . 0.0 109.336 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 34' ' ' SER . 54.7 mt -94.52 138.35 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.037 -1.039 . . . . 0.0 109.412 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 ' CB ' ' A' ' 59' ' ' LYS . 2.7 tp -87.77 -41.91 12.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.143 -0.973 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -170.83 147.64 2.77 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.128 -0.982 . . . . 0.0 110.382 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.608 HG12 HG13 ' A' ' 56' ' ' VAL . 74.2 mt -125.02 131.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.114 -0.991 . . . . 0.0 109.223 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.0 mp -105.86 131.62 52.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.919 -1.113 . . . . 0.0 109.877 -179.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.0 123.88 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.165 -0.96 . . . . 0.0 109.279 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 t -125.71 160.51 29.56 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.781 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -127.83 36.06 4.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -87.14 174.82 8.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.848 -1.157 . . . . 0.0 109.093 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.58 -40.12 84.83 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.996 -1.065 . . . . 0.0 109.741 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.15 -39.4 71.97 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.033 -1.042 . . . . 0.0 109.797 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.8 mmm -112.1 61.89 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.422 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.95 38.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.936 -1.103 . . . . 0.0 109.479 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.41 38.34 95.58 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 3.5 pt20 -156.91 151.09 25.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.003 -1.292 . . . . 0.0 109.799 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.27 152.01 38.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 34.4 m-85 -111.52 143.04 43.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.12 -0.987 . . . . 0.0 109.191 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 HG12 ' A' ' 42' ' ' ILE . 10.3 t -132.0 127.84 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.895 -1.128 . . . . 0.0 108.867 179.176 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' SER . 39.6 mt -114.99 157.61 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.145 -0.972 . . . . 0.0 108.764 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -130.9 149.67 52.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.005 -1.06 . . . . 0.0 109.219 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.53 ' CB ' HD13 ' A' ' 40' ' ' LEU . 8.5 tttp -49.45 -61.79 1.9 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 120.948 -1.095 . . . . 0.0 108.756 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.41 158.74 15.3 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 177.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 9' ' ' HIS . 4.6 p -90.27 19.69 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.782 -1.199 . . . . 0.0 112.539 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.38 -38.36 11.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.478 -1.389 . . . . 0.0 109.261 178.764 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -62.55 -32.94 73.98 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.902 -1.123 . . . . 0.0 110.176 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -69.34 -32.79 72.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.763 -1.211 . . . . 0.0 108.654 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.471 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 27.4 m -64.91 -39.87 94.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.019 . . . . 0.0 109.713 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -67.83 -34.3 76.47 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.965 -1.084 . . . . 0.0 110.127 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.775 -1.203 . . . . 0.0 110.824 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -53.82 8.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.694 -1.254 . . . . 0.0 110.175 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -5.18 48.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.978 -1.076 . . . . 0.0 111.868 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.413 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 44.1 m -94.43 -39.98 10.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.289 -1.507 . . . . 0.0 109.852 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 20.7 mmm -109.48 38.8 2.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.957 -1.089 . . . . 0.0 109.757 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.77 103.18 0.19 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.159 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.35 64.6 2.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 4.6 m-85 -120.6 161.03 41.7 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.067 -1.255 . . . . 0.0 109.596 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.12 135.84 14.08 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.825 1.683 . . . . 0.0 110.791 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 6.7 t80 -122.51 -59.4 1.63 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 108.648 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.901 ' CD2' HD12 ' A' ' 20' ' ' ILE . 6.6 m-85 -125.38 67.94 1.14 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.086 -1.009 . . . . 0.0 108.834 179.071 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.74 42.4 8.13 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 109.564 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 150.4 1.39 Allowed Pre-proline 0 N--CA 1.499 2.022 0 O-C-N 121.016 -1.052 . . . . 0.0 110.067 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.32 147.66 23.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.813 1.675 . . . . 0.0 110.341 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.39 138.0 20.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.014 -1.053 . . . . 0.0 109.966 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 148.84 23.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.047 -1.033 . . . . 0.0 109.168 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -110.26 138.58 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.118 -0.989 . . . . 0.0 110.113 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -143.42 139.11 29.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -0.954 . . . . 0.0 108.747 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.471 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 12.7 m-85 -50.94 175.3 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.917 -1.114 . . . . 0.0 109.843 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -95.01 162.29 13.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.016 -1.053 . . . . 0.0 109.389 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -63.27 -50.15 71.28 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.7 p -113.42 179.53 3.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 0.0 109.419 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.07 -178.43 6.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.027 -1.046 . . . . 0.0 109.279 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.599 ' HB2' HD13 ' A' ' 57' ' ' ILE . 15.6 p -95.79 158.37 15.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.094 -1.004 . . . . 0.0 109.783 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.38 19.86 10.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.854 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 93' ' ' ILE . 34.7 pt -101.34 -36.72 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.479 -1.388 . . . . 0.0 110.465 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.899 0 O-C-N 120.555 -1.341 . . . . 0.0 109.145 178.517 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 110.282 -0.699 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.0 m120 -123.15 173.43 7.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.488 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' N ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -83.85 -41.84 17.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.108 -0.995 . . . . 0.0 109.079 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -96.54 148.92 22.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.144 -0.972 . . . . 0.0 109.271 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 85' ' ' TYR . 4.1 pt -116.26 145.77 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.994 -1.066 . . . . 0.0 109.222 179.347 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 67.4 t80 -113.0 119.09 36.72 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.409 -0.807 . . . . 0.0 109.262 -179.446 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -98.8 147.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.048 -1.033 . . . . 0.0 109.046 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -139.35 -179.97 6.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.006 -1.059 . . . . 0.0 109.648 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 59.19 41.47 20.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.983 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.473 HD21 ' SD ' ' A' ' 81' ' ' MET . 3.0 mt -95.41 179.59 5.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.067 -1.021 . . . . 0.0 109.473 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' HD11 ' A' ' 20' ' ' ILE . 8.1 t-20 -72.03 151.45 43.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.031 -1.043 . . . . 0.0 109.052 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.01 34.7 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.148 -0.97 . . . . 0.0 110.374 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -148.0 33.27 0.83 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.779 -1.201 . . . . 0.0 110.281 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.874 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.9 mm -99.24 154.13 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.846 -1.159 . . . . 0.0 109.91 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -85.47 -177.61 6.49 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -86.62 -40.09 15.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.889 -1.132 . . . . 0.0 109.133 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.12 -29.6 57.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 108.456 178.236 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.5 tt0 -70.21 -46.44 64.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.877 -1.139 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.5 -31.61 71.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.908 -1.12 . . . . 0.0 110.455 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -73.82 -24.43 59.8 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.219 . . . . 0.0 110.597 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -78.73 -36.88 42.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 85.1 p -69.83 -38.56 76.58 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.881 -1.137 . . . . 0.0 109.972 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 42' ' ' ILE . 6.9 mt -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.86 -1.15 . . . . 0.0 110.067 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -68.32 -18.48 64.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.865 -1.147 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.71 -51.94 4.86 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.434 -1.416 . . . . 0.0 110.147 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.94 -55.24 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.98 -1.075 . . . . 0.0 110.731 -179.078 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 64.2 m-85 -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.899 -1.126 . . . . 0.0 110.703 -178.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.9 t -61.64 -33.51 74.06 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.84 -1.163 . . . . 0.0 110.367 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -49.7 -38.3 32.55 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.639 -1.288 . . . . 0.0 110.262 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 66' ' ' ASN . 80.8 m-85 -74.92 -52.21 11.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.927 -1.108 . . . . 0.0 109.383 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 -163.88 11.21 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -89.34 146.43 24.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.994 -1.298 . . . . 0.0 109.38 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 34' ' ' SER . 65.4 mt -108.99 117.15 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.011 -1.056 . . . . 0.0 109.564 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 92' ' ' ILE . 95.9 mt -60.9 -40.31 92.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.631 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.83 146.04 0.24 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.976 -1.078 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 29' ' ' LEU . 26.4 mt -110.91 125.86 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.034 -1.041 . . . . 0.0 109.473 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.55 131.05 45.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.02 -1.05 . . . . 0.0 109.6 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.77 131.69 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.035 . . . . 0.0 109.327 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' A' ' 50' ' ' MET . 29.4 t -110.06 146.99 34.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.91 -1.119 . . . . 0.0 109.619 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.74 38.31 4.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 109.85 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -107.22 163.2 13.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.946 -1.096 . . . . 0.0 109.283 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.83 -41.98 88.19 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.994 -1.066 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.43 -40.77 95.64 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.052 -1.03 . . . . 0.0 109.549 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HB2' ' OG ' ' A' ' 45' ' ' SER . 87.2 mmm -109.67 60.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.387 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.44 143.4 35.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.23 38.84 88.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' OE1' ' CE2' ' A' ' 55' ' ' PHE . 4.9 pp0? -155.07 164.51 38.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.988 -1.301 . . . . 0.0 109.921 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.11 11.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.953 -1.092 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CE2' ' OE1' ' A' ' 53' ' ' GLN . 74.4 m-85 -138.84 135.9 35.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.051 -1.031 . . . . 0.0 109.096 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -126.62 126.17 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.888 -1.133 . . . . 0.0 109.991 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HD11 ' A' ' 92' ' ' ILE . 40.3 mt -99.43 118.22 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.077 -1.014 . . . . 0.0 108.942 179.426 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m-85 -98.28 143.57 28.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.072 -1.018 . . . . 0.0 109.366 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -55.23 -40.81 71.29 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.993 -1.067 . . . . 0.0 109.407 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.19 150.92 44.65 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.158 -0.964 . . . . 0.0 109.319 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 10.1 p -62.16 -32.27 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.997 -1.064 . . . . 0.0 109.995 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.8 m -62.98 -35.19 79.35 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.784 -1.197 . . . . 0.0 109.913 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.4 m -58.73 -33.73 70.56 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.774 -1.204 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.21 -29.24 48.23 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.709 -1.245 . . . . 0.0 109.747 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 32.5 m -63.86 -39.66 94.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.866 -1.146 . . . . 0.0 109.859 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -76.8 -39.22 52.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.964 -1.085 . . . . 0.0 109.761 -179.79 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.63 -16.77 64.33 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.926 -1.109 . . . . 0.0 110.975 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -37.03 12.23 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.484 -1.385 . . . . 0.0 110.186 -179.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -68.67 -35.63 77.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.831 -1.168 . . . . 0.0 110.205 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 t -85.39 -27.58 25.72 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.9 -1.125 . . . . 0.0 110.852 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mtp -101.81 35.61 2.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.59 -1.319 . . . . 0.0 110.07 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -76.82 92.7 3.63 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.937 -1.102 . . . . 0.0 108.999 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 73.11 1.21 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -119.33 161.01 39.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.278 . . . . 0.0 109.625 -179.737 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.8 Cg_endo -78.24 134.3 12.72 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.977 1.784 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -147.03 119.22 8.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.3 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.874 ' CD2' HD12 ' A' ' 20' ' ' ILE . 67.0 m-85 71.08 -84.08 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 O-C-N 122.163 -0.336 . . . . 0.0 110.675 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.52 44.37 0.53 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.507 -1.371 . . . . 0.0 110.459 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.64 152.16 0.56 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 120.902 -1.123 . . . . 0.0 110.151 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -76.94 147.17 26.67 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.792 1.661 . . . . 0.0 110.045 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -148.24 129.36 14.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.282 -179.652 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.24 139.04 31.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.0 108.488 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.61 136.85 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.042 . . . . 0.0 110.255 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 135.67 53.93 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -50.61 157.6 0.74 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.865 -1.147 . . . . 0.0 109.721 -179.433 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 162.46 28.07 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 0.0 109.534 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -77.24 -41.52 40.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.035 -1.04 . . . . 0.0 109.419 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -119.43 177.88 4.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.021 -1.05 . . . . 0.0 109.888 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -88.21 -174.81 4.8 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.139 -0.976 . . . . 0.0 109.471 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.72 154.24 20.09 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.997 -1.065 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -33.12 58.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 109.766 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 93' ' ' ILE . 1.2 pp -56.46 -26.11 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.859 -1.15 . . . . 0.0 109.512 178.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 O-C-N 120.43 -1.419 . . . . 0.0 107.21 177.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 CA--C 1.536 0.581 0 N-CA-C 110.164 -0.745 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 3.6 m120 -119.85 -74.04 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.545 ' NE2' HG21 ' A' ' 93' ' ' ILE . 2.3 t60 172.41 -46.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.287 -0.883 . . . . 0.0 108.677 -179.472 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.6 m -111.32 158.76 18.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.008 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.527 HD12 HG21 ' A' ' 83' ' ' ILE . 44.8 pt -117.64 159.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 12.3 t80 -139.18 107.12 5.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.908 . . . . 0.0 109.556 -178.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 54' ' ' ALA . 8.8 mt -76.19 150.04 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.032 -1.042 . . . . 0.0 108.727 178.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 19.6 t-20 -140.61 159.32 42.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.96 -1.087 . . . . 0.0 109.509 -179.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 68.78 46.46 0.91 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.906 -1.121 . . . . 0.0 109.112 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 53' ' ' GLN . 1.1 mt -92.52 -179.52 5.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.195 -0.941 . . . . 0.0 109.266 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -79.73 149.76 31.05 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.123 -0.986 . . . . 0.0 109.271 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -101.14 34.55 2.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.105 -0.997 . . . . 0.0 110.279 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -138.34 29.34 2.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.735 -1.228 . . . . 0.0 109.933 179.298 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.931 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.3 mm -99.31 152.42 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.879 -1.138 . . . . 0.0 109.883 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -86.99 -176.94 5.92 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.067 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -86.98 -39.94 15.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.846 -1.159 . . . . 0.0 109.188 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.16 -24.32 57.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 108.938 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 10.1 tt0 -78.17 -45.83 22.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.801 -1.187 . . . . 0.0 110.003 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.815 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -68.21 -28.32 67.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.997 -1.065 . . . . 0.0 110.815 -179.511 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -80.1 -30.86 39.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.668 -1.27 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -22.94 49.81 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.627 -1.296 . . . . 0.0 110.424 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 49.5 m -86.24 -39.41 16.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.629 -1.294 . . . . 0.0 109.992 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.49 -42.46 71.33 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.945 -1.097 . . . . 0.0 109.545 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' A' ' 34' ' ' SER . 6.2 t-80 -62.54 -28.69 70.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.176 -0.952 . . . . 0.0 110.466 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.87 -69.73 0.55 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.622 -1.299 . . . . 0.0 109.783 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.415 HD13 ' CE ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -46.51 -59.24 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.073 -1.017 . . . . 0.0 112.051 -178.687 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 14.0 m-85 -61.28 -32.17 72.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.657 -1.277 . . . . 0.0 111.463 -178.669 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 39' ' ' ILE . 31.8 p -66.37 -27.68 68.05 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.717 -1.239 . . . . 0.0 111.8 -178.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 1.9 ptm180 -49.47 -31.58 10.28 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.493 -1.38 . . . . 0.0 110.992 -179.079 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.26 -55.56 6.26 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.711 -1.243 . . . . 0.0 109.375 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.84 -141.45 3.23 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -98.5 142.78 29.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.96 -1.318 . . . . 0.0 109.378 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 34' ' ' SER . 59.4 mt -100.76 117.12 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.051 -1.031 . . . . 0.0 109.533 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 92' ' ' ILE . 2.8 mp -52.96 -66.9 0.3 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.96 -1.087 . . . . 0.0 109.674 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -159.51 141.95 13.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.148 -0.97 . . . . 0.0 110.068 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.9 mt -113.18 142.62 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.028 -1.045 . . . . 0.0 109.456 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.32 138.24 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.03 -1.044 . . . . 0.0 109.682 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.7 m -141.64 121.7 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.266 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -136.2 142.28 44.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.011 -1.055 . . . . 0.0 109.203 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 47' ' ' SER . 25.4 mtt180 -87.35 -76.22 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 6.3 p 48.75 -177.48 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.884 -1.135 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.39 -40.28 18.02 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.409 -1.432 . . . . 0.0 109.963 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -74.75 -37.89 62.38 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.999 -1.063 . . . . 0.0 110.255 -179.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mtp -95.92 52.3 1.31 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.917 -1.114 . . . . 0.0 109.752 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 49.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.958 -1.089 . . . . 0.0 109.435 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.94 57.66 0.01 OUTLIER Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.631 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.9 pt20 -176.59 172.6 2.14 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.152 -1.205 . . . . 0.0 110.36 -179.603 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -158.2 176.2 12.79 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.754 -1.216 . . . . 0.0 110.392 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.68 145.52 48.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.007 -1.058 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 58' ' ' PHE . 38.7 t -142.53 121.42 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.819 -1.176 . . . . 0.0 109.652 179.353 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' CD1' HD13 ' A' ' 92' ' ' ILE . 51.9 mt -99.76 126.29 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 120.806 -1.184 . . . . 0.0 108.427 179.322 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 56' ' ' VAL . 49.9 m-85 -107.73 152.1 24.8 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.124 -0.985 . . . . 0.0 109.337 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -49.77 110.25 0.37 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.274 -0.891 . . . . 0.0 109.234 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 71.72 -173.16 0.16 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.282 -0.886 . . . . 0.0 109.079 -178.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.428 HG22 ' ND1' ' A' ' 9' ' ' HIS . 11.9 t -94.93 -32.53 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.976 -1.077 . . . . 0.0 110.862 -179.18 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 p -58.88 -38.13 78.13 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.833 -1.167 . . . . 0.0 110.377 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t -59.83 -35.9 75.69 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.847 -1.158 . . . . 0.0 110.43 -179.408 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.92 62.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.757 -1.214 . . . . 0.0 109.499 179.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.456 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 3.6 m -62.57 -40.35 96.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 109.361 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -39.37 72.37 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.08 -18.91 65.65 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.949 -1.094 . . . . 0.0 110.991 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.39 -55.73 3.76 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.45 -1.406 . . . . 0.0 110.025 -179.429 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -53.85 -36.58 62.73 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.003 -1.061 . . . . 0.0 110.426 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -77.09 -33.87 56.94 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.876 -1.14 . . . . 0.0 110.295 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 32' ' ' ILE . 13.7 mtp -102.3 35.26 2.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.187 . . . . 0.0 110.113 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -73.06 109.84 6.89 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.889 -1.132 . . . . 0.0 108.94 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.83 65.55 3.16 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 -179.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -105.22 152.56 39.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.144 -1.209 . . . . 0.0 109.683 -179.614 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 74' ' ' PHE . 36.8 Cg_endo -81.05 105.78 1.69 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 121.895 1.73 . . . . 0.0 110.345 179.84 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -116.12 124.56 50.67 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.005 -1.059 . . . . 0.0 108.562 179.61 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.931 ' CD2' HD12 ' A' ' 20' ' ' ILE . 77.9 m-85 57.15 38.07 28.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.029 . . . . 0.0 109.731 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 61.25 63.47 1.22 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.917 -1.114 . . . . 0.0 110.355 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.86 142.81 1.6 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.797 -1.19 . . . . 0.0 110.0 179.434 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.54 111.43 3.01 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.409 1.406 . . . . 0.0 109.614 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -125.74 139.33 53.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.003 -1.06 . . . . 0.0 110.536 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mtm105 -119.0 147.05 44.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 108.66 179.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 11' ' ' ILE . 3.4 mp -107.45 140.76 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.0 -1.062 . . . . 0.0 110.278 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -131.25 134.58 46.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 24.3 m-85 -49.91 122.08 6.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.933 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 166.27 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.187 -0.945 . . . . 0.0 110.449 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.44 -52.91 22.3 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.993 -1.067 . . . . 0.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 p -105.17 179.55 4.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.078 -1.014 . . . . 0.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -86.82 -174.09 4.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.041 -1.037 . . . . 0.0 109.182 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -91.33 160.04 15.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.354 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -95.94 19.11 12.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CD1' HD23 ' A' ' 40' ' ' LEU . 7.6 pt -97.41 -43.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.464 -1.398 . . . . 0.0 109.293 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.558 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.213 0 O-C-N 121.03 -1.044 . . . . 0.0 109.75 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.673 0 N-CA-C 110.482 -0.622 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -118.31 -65.84 1.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.49 -43.85 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.0 m -113.6 116.98 30.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.38 -0.825 . . . . 0.0 109.424 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.929 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.2 pp -71.75 177.1 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 47.2 t80 -146.79 154.39 41.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.055 -1.028 . . . . 0.0 109.357 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 16' ' ' LEU . 2.7 mp -137.09 138.22 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.181 -0.95 . . . . 0.0 109.152 179.76 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.86 -175.88 4.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 109.485 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 61.38 40.87 13.63 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 109.501 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 HG22 ' A' ' 13' ' ' ILE . 2.9 mp -92.75 178.03 5.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 109.332 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.72 ' OD1' HD11 ' A' ' 20' ' ' ILE . 50.3 p-10 -85.39 155.05 21.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.977 -1.077 . . . . 0.0 109.428 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -94.06 58.41 2.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 109.545 -179.842 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -150.89 36.32 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.967 -1.083 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.762 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.1 mm -93.37 155.62 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.961 -1.087 . . . . 0.0 109.625 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -105.78 27.87 8.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.18 -0.95 . . . . 0.0 111.202 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 72.69 -80.47 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 121.467 -0.771 . . . . 0.0 111.603 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.61 -26.71 63.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.391 -1.443 . . . . 0.0 108.673 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 19.4 tt0 -64.96 -42.85 94.23 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.968 -1.083 . . . . 0.0 109.838 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.1 tp -67.49 -28.75 68.11 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.837 -1.164 . . . . 0.0 111.152 -179.478 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -79.02 -23.5 44.29 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.67 -1.269 . . . . 0.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.4 -31.49 33.2 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.544 -1.348 . . . . 0.0 109.917 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.3 m -79.18 -38.84 34.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.771 -1.206 . . . . 0.0 110.087 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.69 -51.68 18.34 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.91 -1.119 . . . . 0.0 109.502 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CA ' HD11 ' A' ' 42' ' ' ILE . 5.5 t-80 -54.42 -27.65 38.46 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.133 -0.98 . . . . 0.0 110.682 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.56 -70.38 0.53 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.66 -1.275 . . . . 0.0 110.278 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -58.39 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.955 -1.091 . . . . 0.0 112.567 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 26.4 m-85 -58.87 -36.02 73.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.746 -1.221 . . . . 0.0 111.253 -178.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.417 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.8 t -61.59 -34.53 75.77 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.767 -1.208 . . . . 0.0 110.551 -179.199 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -45.64 -32.38 2.35 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.917 -1.114 . . . . 0.0 111.881 -178.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 m-85 -96.34 -39.62 9.53 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.749 -1.219 . . . . 0.0 110.784 -178.289 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -145.99 -172.57 16.46 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.424 -1.37 . . . . 0.0 110.04 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -92.22 140.7 29.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.127 -1.22 . . . . 0.0 109.203 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 34' ' ' SER . 48.6 mt -104.24 134.79 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.004 -1.06 . . . . 0.0 109.295 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.67 -40.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.979 -1.075 . . . . 0.0 109.608 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.85 156.65 1.1 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.105 -0.997 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.7 mt -122.86 141.73 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 109.192 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.9 130.27 55.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.998 -1.064 . . . . 0.0 109.83 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.66 121.4 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.27 -178.6 3.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.981 -1.074 . . . . 0.0 109.652 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -142.82 36.17 1.42 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 0.0 110.14 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 p -95.31 177.04 5.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.84 -1.163 . . . . 0.0 108.954 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.41 -40.84 92.43 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.923 -1.11 . . . . 0.0 110.124 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -74.52 -38.91 62.68 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.927 -1.108 . . . . 0.0 109.863 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 58.48 2.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.28 120.09 41.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.987 -1.071 . . . . 0.0 109.391 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.91 44.04 47.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -162.03 141.01 9.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.265 . . . . 0.0 110.071 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.87 -175.75 4.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.934 -1.104 . . . . 0.0 110.063 -179.755 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 36.7 m-85 -140.27 152.47 45.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.963 -1.086 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.691 ' O ' HG23 ' A' ' 10' ' ' THR . 16.1 t -134.84 133.34 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.999 -1.063 . . . . 0.0 109.197 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 92' ' ' ILE . 17.0 mt -105.92 143.84 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.028 -1.045 . . . . 0.0 109.117 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.901 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 92.5 m-85 -127.56 140.94 51.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.991 -1.068 . . . . 0.0 109.814 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.49 112.2 0.95 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.11 -0.993 . . . . 0.0 110.036 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.72 144.04 0.05 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.221 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.6 p -68.69 97.78 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 108.836 179.619 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 -50.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -60.77 -37.56 82.29 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.167 -0.958 . . . . 0.0 108.762 179.002 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.929 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.97 -29.5 63.11 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.868 -1.145 . . . . 0.0 109.291 178.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.8 m -58.53 -42.54 88.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.968 -1.083 . . . . 0.0 109.69 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.5 -41.87 62.53 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.057 -1.027 . . . . 0.0 109.718 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.16 -27.09 43.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.52 -53.45 4.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.57 -1.331 . . . . 0.0 110.261 -179.082 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -49.68 -30.24 8.8 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.907 -1.121 . . . . 0.0 111.266 -179.3 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -30.51 14.97 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.772 -1.205 . . . . 0.0 110.943 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 mtp -100.89 33.7 2.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.675 -1.265 . . . . 0.0 110.463 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.58 97.68 0.62 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.846 -1.159 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.03 73.64 0.9 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.45 170.36 6.24 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.27 . . . . 0.0 109.818 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.51 146.0 21.31 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 121.935 1.757 . . . . 0.0 110.604 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -165.51 117.48 1.12 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.075 -1.016 . . . . 0.0 109.625 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD2' HD12 ' A' ' 20' ' ' ILE . 65.8 m-85 58.9 41.36 21.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.077 -1.015 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.7 t70 57.66 63.05 1.92 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.064 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -179.87 142.91 0.36 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.0 110.252 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.52 134.29 12.33 Favored 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.656 1.57 . . . . 0.0 109.875 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 13' ' ' ILE . 1.8 ptt? -143.39 130.11 20.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.022 -1.049 . . . . 0.0 110.309 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 148.08 22.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.118 -0.989 . . . . 0.0 108.586 179.244 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.4 135.29 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.098 -1.001 . . . . 0.0 110.519 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -134.1 140.63 46.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 23.6 m-85 -52.13 176.46 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.791 -1.193 . . . . 0.0 109.76 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -84.66 178.78 7.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.041 -1.037 . . . . 0.0 109.326 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -84.43 -49.3 8.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.021 -1.049 . . . . 0.0 109.184 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 p -114.81 179.52 3.93 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.112 -0.993 . . . . 0.0 109.358 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -179.79 4.69 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.041 -1.037 . . . . 0.0 109.187 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -89.76 155.83 18.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 109.36 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -32.93 22.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.043 -1.036 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pp -56.94 -24.5 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.711 -1.243 . . . . 0.0 109.657 178.816 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.645 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.499 1.976 0 O-C-N 120.425 -1.422 . . . . 0.0 107.364 177.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 N-CA-C 110.589 -0.581 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m120 -147.39 170.75 16.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.631 -179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -94.0 -40.22 10.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.103 -0.998 . . . . 0.0 109.733 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.429 ' OG1' ' HB3' ' A' ' 90' ' ' SER . 59.5 m -99.84 124.79 45.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.018 -1.051 . . . . 0.0 109.434 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.403 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 3.6 pt -88.1 164.43 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.971 -1.08 . . . . 0.0 109.23 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -131.99 133.88 44.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 -179.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.29 147.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.171 179.682 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 16' ' ' LEU . 17.2 p-10 -140.34 -175.14 4.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.968 -1.083 . . . . 0.0 109.349 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.3 t30 61.6 43.49 9.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 HG22 ' A' ' 13' ' ' ILE . 11.0 mp -96.32 -179.84 4.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.097 -1.002 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.8 m120 -80.22 152.13 29.29 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.061 -1.024 . . . . 0.0 109.336 179.818 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.39 41.12 1.35 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.0 109.506 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -153.07 38.07 0.5 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.958 -1.088 . . . . 0.0 109.917 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.689 HD13 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -111.59 156.78 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.058 -1.026 . . . . 0.0 109.775 -179.672 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 20' ' ' ILE . 34.0 mtpt -90.98 -178.93 5.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.156 179.055 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -82.48 -35.86 27.04 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.052 . . . . 0.0 109.908 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.08 -12.37 60.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.986 -1.071 . . . . 0.0 109.915 179.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -93.67 -44.38 8.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.611 -1.306 . . . . 0.0 110.083 -179.74 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 20' ' ' ILE . 8.2 tp -71.18 -32.44 68.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.001 -1.062 . . . . 0.0 110.527 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -77.65 -27.36 50.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.757 -1.214 . . . . 0.0 110.261 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -31.0 57.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.524 -1.36 . . . . 0.0 110.135 179.766 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -36.9 30.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.742 -1.224 . . . . 0.0 110.443 -179.436 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 89.1 mt -69.91 -42.72 72.98 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.798 -1.189 . . . . 0.0 109.571 -179.651 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 11.4 t-80 -66.79 -27.6 67.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.206 -0.934 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.76 -66.97 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.698 -1.251 . . . . 0.0 110.053 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -56.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 0.0 111.306 -178.635 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 50.7 m-85 -59.33 -37.39 77.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.827 -1.171 . . . . 0.0 110.999 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 28.5 p -61.2 -33.72 73.92 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.803 -1.185 . . . . 0.0 110.8 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -50.78 -37.36 41.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.656 -1.278 . . . . 0.0 110.404 -179.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.1 -55.03 11.97 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.93 -1.106 . . . . 0.0 109.707 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.11 -128.28 1.94 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -123.42 139.08 54.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.119 -1.224 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.446 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 63.5 mt -105.77 129.58 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.998 -1.064 . . . . 0.0 109.513 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 92' ' ' ILE . 3.6 mp -75.7 -39.92 56.6 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.101 -1.0 . . . . 0.0 109.569 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.34 162.62 2.94 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.118 -0.989 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 55' ' ' PHE . 36.8 mt -132.92 132.62 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.055 -1.028 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.43 115.22 30.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.046 -1.034 . . . . 0.0 109.382 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.8 159.87 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.12 -0.988 . . . . 0.0 109.036 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 152.35 50.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.002 -1.061 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -148.93 35.19 0.75 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.03 -1.044 . . . . 0.0 110.031 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p -111.3 172.11 7.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 108.863 179.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.15 -57.73 11.27 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.832 -1.167 . . . . 0.0 109.602 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -55.95 -41.49 74.76 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.968 -1.082 . . . . 0.0 109.562 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 mtt -105.84 59.93 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 130.33 53.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 39.65 49.09 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.71 146.51 25.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.045 -1.268 . . . . 0.0 109.783 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.68 172.87 12.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.08 -1.012 . . . . 0.0 109.886 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.8 m-85 -133.59 138.75 46.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.066 -1.021 . . . . 0.0 108.933 179.779 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 59.5 t -124.02 138.96 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.874 -1.141 . . . . 0.0 109.78 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HG12 ' A' ' 92' ' ' ILE . 6.5 mt -113.93 123.17 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.94 -1.1 . . . . 0.0 108.959 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 3.9 m-85 -100.58 153.85 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.03 . . . . 0.0 109.46 -179.765 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' HD13 ' A' ' 40' ' ' LEU . 20.9 ttmt -61.3 -41.06 96.34 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 109.113 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -124.75 152.82 43.32 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 8' ' ' ASN . 46.7 t -61.41 -34.49 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.143 -0.973 . . . . 0.0 110.078 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -57.99 -36.17 72.26 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.838 -1.164 . . . . 0.0 110.38 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.1 m -63.55 -36.96 85.52 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.749 -1.22 . . . . 0.0 110.218 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.59 -22.91 58.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.914 -1.117 . . . . 0.0 110.048 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.465 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 21.7 m -71.43 -42.3 68.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.78 -1.2 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -67.35 -42.26 83.8 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.109 -0.995 . . . . 0.0 109.084 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -58.57 -35.39 72.31 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.076 -1.015 . . . . 0.0 109.798 179.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -66.48 -45.54 79.29 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.816 -1.177 . . . . 0.0 109.518 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 8.92 25.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.062 -1.024 . . . . 0.0 111.745 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t -99.16 -43.68 6.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.377 -1.452 . . . . 0.0 109.802 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -107.1 37.89 2.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.003 -1.061 . . . . 0.0 109.815 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.44 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.887 -1.133 . . . . 0.0 109.172 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.05 64.5 3.23 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.39 167.83 11.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.025 -1.28 . . . . 0.0 109.788 -179.4 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 132.37 11.53 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 121.847 1.698 . . . . 0.0 110.425 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 19.0 t80 -127.3 -60.8 1.18 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.991 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.559 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.9 m-85 -124.53 68.94 1.09 Allowed 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.078 -1.014 . . . . 0.0 109.066 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.44 41.7 18.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.001 -1.062 . . . . 0.0 109.433 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -177.65 154.15 1.01 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.083 -1.011 . . . . 0.0 109.887 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.81 149.9 26.71 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 C-N-CA 121.703 1.602 . . . . 0.0 110.007 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.6 139.15 18.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.936 -1.102 . . . . 0.0 110.397 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.92 143.24 34.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 108.541 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.33 137.39 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.993 -1.067 . . . . 0.0 110.465 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.72 134.38 47.59 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -50.06 157.24 0.66 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.901 -1.124 . . . . 0.0 109.851 -179.389 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.91 169.03 18.07 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.522 -179.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -90.67 -40.85 11.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.189 -0.945 . . . . 0.0 109.235 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.6 p -106.97 178.97 4.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.313 179.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -109.75 170.69 7.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.957 -1.089 . . . . 0.0 109.498 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.429 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 2.4 p -99.46 161.11 13.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.01 . . . . 0.0 109.402 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.27 0.56 34.53 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.075 -1.016 . . . . 0.0 111.06 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.874 HG12 HD13 ' A' ' 57' ' ' ILE . 2.0 pp -63.76 -30.16 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.49 -1.381 . . . . 0.0 107.641 177.719 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.686 HD13 ' CD1' ' A' ' 92' ' ' ILE . 3.2 mm . . . . . 0 N--CA 1.502 2.156 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 O4'-C1'-N19 110.919 2.719 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.916 0 O4'-C1'-N19 111.022 2.822 . 0.508 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.039 2.839 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.524 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.081 0 O4'-C1'-N19 111.196 2.996 . 0.119 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.421 " O4'" " O2'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.16 0 O4'-C1'-N19 111.392 3.192 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.464 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C3'-C2'-C1' 104.095 2.884 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.537 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C3'-C2'-C1' 104.485 3.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.537 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.241 0 O4'-C1'-N19 111.518 3.318 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 O4'-C1'-N19 110.915 2.715 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.506 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.924 2.724 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.506 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 111.109 2.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.175 2.972 . 0.283 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.992 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 110.85 2.65 . 0.839 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.014 2.814 . 0.609 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.411 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.181 2.981 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.411 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.033 0 O4'-C1'-N19 111.17 2.97 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.129 2.929 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.489 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.833 0 O4'-C1'-N19 110.911 2.711 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.548 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.307 3.107 . 0.287 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.816 0 O4'-C1'-N19 110.914 2.714 . 0.01 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 C5'-C4'-C3' 111.536 -2.642 . 0.227 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.468 ' C6 ' ' HE3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.928 0 O4'-C1'-N19 110.825 2.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C5 ' ' CD2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.435 1.766 0 O4'-C1'-N19 110.981 2.781 . 0.207 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.014 2.814 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.139 2.939 . 0.354 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.992 0 O4'-C1'-N19 111.517 3.317 . 0.463 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.524 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.931 0 O4'-C1'-N19 111.001 2.801 . 0.077 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.12 2.92 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C5'-C4'-C3' 111.631 -2.579 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.74 80.53 61.2 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.083 -1.011 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.3 126.68 7.81 Favored 'Trans proline' 0 C--N 1.322 -0.828 0 C-N-CA 121.849 1.699 . . . . 0.0 110.43 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -54.96 -38.52 67.88 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.009 -1.057 . . . . 0.0 109.772 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.09 104.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.455 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 150.66 66.95 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.5 145.4 20.87 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.772 1.648 . . . . 0.0 110.463 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -150.52 -177.6 6.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 -43.13 11.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.057 -1.027 . . . . 0.0 109.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 56' ' ' VAL . 44.8 m -105.86 142.03 36.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.097 -1.002 . . . . 0.0 108.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.863 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 1.5 pt -106.55 146.8 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.013 -1.054 . . . . 0.0 109.195 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 26.1 t80 -110.83 123.19 49.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.363 -0.835 . . . . 0.0 109.111 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 HG12 ' A' ' 83' ' ' ILE . 4.5 mt -106.87 135.69 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 108.995 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -130.4 -175.23 3.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.951 -1.093 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 63.88 41.57 6.62 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.989 -1.07 . . . . 0.0 109.529 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' GLN . 66.6 mt -100.19 -175.18 2.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.066 -1.021 . . . . 0.0 109.425 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.46 154.04 35.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.982 -1.074 . . . . 0.0 109.218 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -101.47 37.68 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.954 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -149.51 34.94 0.71 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.902 -1.124 . . . . 0.0 110.108 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.6 mm -98.81 150.75 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.837 -1.164 . . . . 0.0 109.86 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -84.24 -178.55 6.97 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -85.04 -38.5 19.1 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.915 -1.116 . . . . 0.0 109.518 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -22.81 52.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.129 -0.982 . . . . 0.0 109.256 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.5 mt-10 -80.08 -42.8 22.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.761 -1.212 . . . . 0.0 110.251 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.782 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -70.25 -36.4 74.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.147 . . . . 0.0 110.171 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.87 -30.69 64.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.853 -1.154 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -71.58 -33.35 68.97 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.753 -1.217 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 68.6 m -75.33 -38.84 59.98 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.735 -1.228 . . . . 0.0 110.007 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.5 mt -66.49 -34.74 78.6 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.853 -1.154 . . . . 0.0 110.166 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.1 t-80 -76.18 -19.26 58.6 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.918 -1.114 . . . . 0.0 111.297 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.62 -39.41 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.441 -1.412 . . . . 0.0 110.297 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -82.59 -54.93 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 120.903 -1.123 . . . . 0.0 110.617 -179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 51.1 m-85 -59.78 -36.26 76.34 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.921 -1.112 . . . . 0.0 110.272 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.542 ' N ' HD11 ' A' ' 39' ' ' ILE . 82.9 p -61.5 -36.44 80.49 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.771 -1.206 . . . . 0.0 109.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -49.56 -38.56 31.62 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.762 -1.211 . . . . 0.0 110.154 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -71.93 -54.02 11.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.982 -1.074 . . . . 0.0 109.304 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.94 -162.36 10.43 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -91.11 135.63 33.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.002 -1.293 . . . . 0.0 109.338 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 34' ' ' SER . 39.7 mt -98.99 147.21 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.011 -1.056 . . . . 0.0 109.709 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 57' ' ' ILE . 50.0 mt -87.66 -53.87 4.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.088 -1.007 . . . . 0.0 109.31 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.57 166.08 29.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 29' ' ' LEU . 56.0 mt -136.13 131.27 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.102 -0.999 . . . . 0.0 108.897 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD22 " H1'" ' B' ' 45' ' ' ' C' . 2.9 mp -116.48 141.3 48.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.973 -1.079 . . . . 0.0 109.871 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.54 132.25 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.065 -1.022 . . . . 0.0 109.04 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.464 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.2 m -117.48 149.48 40.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 109.877 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -117.81 39.9 3.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.034 . . . . 0.0 109.742 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 178.36 6.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.983 -1.073 . . . . 0.0 109.078 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD21 " O2'" ' B' ' 40' ' ' ' U' . 7.1 tt -55.88 -56.83 15.92 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.845 -1.159 . . . . 0.0 109.413 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -59.08 -40.2 84.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.05 -1.032 . . . . 0.0 109.299 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.1 56.65 2.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.045 -1.035 . . . . 0.0 109.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 47.56 0.9 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.873 -1.142 . . . . 0.0 109.128 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.92 60.03 0.02 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.1 pt20 -173.73 167.41 4.46 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.09 -1.241 . . . . 0.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.7 8.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.859 -1.151 . . . . 0.0 110.149 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 31.6 m-85 -137.94 133.45 33.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.022 -1.049 . . . . 0.0 109.011 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 HG13 ' A' ' 11' ' ' ILE . 12.3 p -123.11 139.8 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.95 -1.094 . . . . 0.0 109.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.668 ' CG2' HD11 ' A' ' 93' ' ' ILE . 5.2 mp -101.8 126.02 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.998 -1.064 . . . . 0.0 108.614 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.4 152.33 18.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -54.03 -39.13 65.88 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.107 -0.996 . . . . 0.0 109.79 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.13 161.34 37.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.004 -1.06 . . . . 0.0 109.809 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.9 -37.51 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.1 -1.0 . . . . 0.0 109.717 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 p -62.42 -37.25 85.09 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.949 -1.094 . . . . 0.0 109.943 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -57.11 -33.16 67.06 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.875 -1.141 . . . . 0.0 110.608 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -78.52 -31.52 47.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.699 -1.25 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 17.8 m -60.88 -41.74 96.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.915 -1.116 . . . . 0.0 109.367 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -72.94 -40.9 65.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.973 -1.08 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.46 62.87 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.945 -1.097 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -89.36 -35.97 15.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.523 -1.361 . . . . 0.0 110.529 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -63.2 -37.42 87.17 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.876 -1.14 . . . . 0.0 110.155 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.44 -31.98 18.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.896 -1.127 . . . . 0.0 110.568 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 mtp -101.41 34.18 2.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.752 -1.217 . . . . 0.0 110.232 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -82.38 93.34 7.17 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.818 -1.176 . . . . 0.0 108.866 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.54 62.68 1.84 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.85 167.35 16.29 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.091 -1.24 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.0 137.38 15.56 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.855 1.703 . . . . 0.0 110.626 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 32' ' ' ILE . 9.0 t80 -126.19 -59.73 1.31 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.085 -1.009 . . . . 0.0 108.989 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 20' ' ' ILE . 4.0 m-85 -118.98 67.44 0.78 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.04 -1.038 . . . . 0.0 109.274 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.49 40.28 17.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.631 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -173.12 152.86 2.35 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 120.977 -1.077 . . . . 0.0 109.955 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.67 146.08 23.66 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.775 1.65 . . . . 0.0 110.472 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 135.77 13.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.072 -1.017 . . . . 0.0 110.193 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -97.63 146.65 25.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 108.847 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 68' ' ' LEU . 66.9 mt -108.28 137.21 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 110.334 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -123.13 134.99 54.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -50.33 157.61 0.68 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.861 -1.149 . . . . 0.0 110.008 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.78 17.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.993 -1.067 . . . . 0.0 109.691 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HE3' ' C6 ' ' B' ' 43' ' ' ' C' . 46.1 mttt -92.04 -39.69 11.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.135 -0.978 . . . . 0.0 109.677 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.1 p -117.38 179.65 3.99 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.974 -1.079 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 16.1 m-20 -88.97 -176.44 5.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.032 -1.043 . . . . 0.0 109.269 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.454 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.3 OUTLIER -95.06 148.34 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.049 -1.032 . . . . 0.0 109.669 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.8 -26.0 64.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.096 -1.002 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 57' ' ' ILE . 33.0 pt -67.09 -39.21 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.548 -1.345 . . . . 0.0 109.063 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.668 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.6 mp -64.97 -21.77 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 O-C-N 120.99 -1.069 . . . . 0.0 109.706 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.13 53.78 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.492 -1.38 . . . . 0.0 109.153 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -97.08 -15.47 20.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.986 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 92' ' ' ILE . 34.0 mmt -65.37 -35.75 81.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.73 -1.231 . . . . 0.0 109.612 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -47.5 -35.47 8.85 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 120.925 -1.11 . . . . 0.0 109.248 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 101' ' ' VAL . . . 157.9 77.99 0.02 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.0 t 38.67 46.29 0.99 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.679 -0.895 . . . . 0.0 111.28 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 23.7 t80 45.1 91.08 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.183 -0.948 . . . . 0.0 111.083 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 98' ' ' GLY . 97.2 t . . . . . 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 109.082 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 110.871 2.671 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.001 0 O4'-C1'-N19 111.083 2.883 . 0.035 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.409 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 110.901 2.701 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' C2 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 O4'-C1'-N19 110.925 2.725 . 0.139 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.071 0 O4'-C1'-N19 111.216 3.016 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.453 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C3'-C2'-C1' 103.913 2.682 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.46 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.448 3.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.46 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.18 0 O4'-C1'-N19 111.456 3.256 . 0.114 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 O4'-C1'-N19 110.971 2.771 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 C5'-C4'-C3' 111.646 -2.569 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.448 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.151 2.951 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C3'-C2'-C1' 104.319 3.133 . 0.333 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.448 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.706 -2.529 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.51 ' N2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 O4'-C1'-N19 110.869 2.669 . 0.818 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.51 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.117 0 O4'-C1'-N19 111.102 2.902 . 0.586 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.015 2.815 . 0.358 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 O4'-C1'-N19 111.108 2.908 . 0.23 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 C5'-C4'-C3' 111.643 -2.572 . 0.235 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.893 0 O4'-C1'-N19 111.102 2.902 . 0.346 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.633 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 O4'-C1'-N19 110.934 2.734 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.899 0 O4'-C1'-N19 110.818 2.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.453 ' N2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 110.876 2.676 . 0.066 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.456 ' C5 ' ' HE2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.948 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.888 2.688 . 0.064 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.535 " O2'" ' P ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.395 3.195 . 0.362 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.535 ' P ' " O2'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.103 0 O4'-C1'-N19 111.435 3.235 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C1'-N19 111.468 3.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.535 ' N2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.209 3.009 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.433 3.233 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 110.875 2.675 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.6 t -140.7 82.37 15.8 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.086 -1.009 . . . . 0.0 109.529 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.82 120.92 5.26 Favored 'Trans proline' 0 C--N 1.323 -0.798 0 C-N-CA 121.867 1.712 . . . . 0.0 110.431 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -88.88 -169.95 2.73 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 109.407 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.4 p -89.9 -174.23 4.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.081 -1.012 . . . . 0.0 109.029 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -57.47 154.63 22.94 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.014 -1.054 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.7 Cg_endo -77.74 145.09 22.61 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.808 1.672 . . . . 0.0 110.429 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG13 ' A' ' 61' ' ' VAL . 12.6 m120 -115.97 -179.76 3.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.121 -0.987 . . . . 0.0 109.561 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.59 -39.27 10.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 m -108.11 135.76 48.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.001 -1.062 . . . . 0.0 109.781 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.7 pp -94.11 176.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.98 . . . . 0.0 108.806 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 77.4 t80 -147.9 150.18 33.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.026 -1.046 . . . . 0.0 109.721 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.531 HD11 HD11 ' A' ' 11' ' ' ILE . 2.7 mp -138.67 144.06 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 0.0 108.797 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -143.86 -175.96 4.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 109.455 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.1 t30 61.91 43.89 8.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 109.126 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 13' ' ' ILE . 23.1 mt -99.77 -171.16 2.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.12 -0.988 . . . . 0.0 109.179 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.53 153.1 33.72 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.972 -1.08 . . . . 0.0 109.363 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.5 42.09 1.28 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -148.17 34.91 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.474 HG12 ' CD2' ' A' ' 77' ' ' TYR . 3.6 mt -110.43 156.6 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.959 -1.088 . . . . 0.0 109.89 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -91.79 -179.95 5.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.977 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.56 -36.75 32.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.986 -1.071 . . . . 0.0 109.872 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -74.44 -20.83 59.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.095 -1.003 . . . . 0.0 109.598 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 39.5 mt-10 -81.54 -45.13 16.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.647 -1.283 . . . . 0.0 110.087 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.0 tp -71.21 -28.5 64.25 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.9 -1.125 . . . . 0.0 110.784 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -81.19 -29.56 34.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.694 -1.254 . . . . 0.0 109.918 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.35 -30.28 61.94 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.744 -1.223 . . . . 0.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -83.29 -38.27 22.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.622 -1.299 . . . . 0.0 110.213 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.51 -39.17 88.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.867 -1.146 . . . . 0.0 109.977 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' HA ' HD11 ' A' ' 42' ' ' ILE . 5.0 t-80 -66.6 -29.43 69.48 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.049 . . . . 0.0 110.743 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.31 -68.05 0.68 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.691 -1.256 . . . . 0.0 109.993 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -49.08 -55.75 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.911 -1.118 . . . . 0.0 111.371 -178.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 51.6 m-85 -61.91 -41.68 98.19 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.77 -1.206 . . . . 0.0 110.914 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -53.47 -33.45 54.25 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.739 -1.226 . . . . 0.0 110.49 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -54.52 -49.06 71.12 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.63 -1.294 . . . . 0.0 109.609 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -57.41 -59.01 5.79 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 -163.99 11.11 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.15 143.97 26.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.031 -1.276 . . . . 0.0 109.474 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 57' ' ' ILE . 60.2 mt -110.45 145.14 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.013 . . . . 0.0 109.65 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD13 ' CA ' ' A' ' 59' ' ' LYS . 3.1 mp -91.88 -41.22 10.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.143 -0.973 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -173.17 141.96 0.99 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.8 mt -111.2 131.45 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.006 -1.059 . . . . 0.0 109.326 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.37 127.76 46.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.995 -1.066 . . . . 0.0 109.715 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -133.69 127.5 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.095 -1.003 . . . . 0.0 109.152 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.453 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 3.2 t -119.55 159.59 24.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.961 -1.087 . . . . 0.0 109.696 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -124.31 32.03 5.61 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.041 -1.037 . . . . 0.0 110.247 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -94.0 174.91 6.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.83 -1.169 . . . . 0.0 108.787 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD21 " O2'" ' B' ' 40' ' ' ' U' . 2.1 tt -58.92 -54.78 43.25 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.84 -1.163 . . . . 0.0 109.651 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -56.03 -39.93 72.69 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.934 -1.104 . . . . 0.0 109.705 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -99.85 60.91 1.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.934 -1.104 . . . . 0.0 109.449 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HB3' ' N2 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -107.1 119.7 40.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.949 -1.095 . . . . 0.0 109.477 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 16' ' ' LEU . . . 67.42 40.08 91.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -157.04 143.31 18.05 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.952 -1.322 . . . . 0.0 109.921 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.28 165.66 35.02 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.992 -1.068 . . . . 0.0 110.286 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 20.5 m-85 -118.62 152.6 35.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.97 -1.081 . . . . 0.0 109.072 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.83 117.2 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.954 -1.091 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 92' ' ' ILE . 9.9 mt -89.32 136.19 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.914 -1.116 . . . . 0.0 109.054 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 88.0 m-85 -115.45 137.07 52.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 109.507 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' CA ' HD13 ' A' ' 40' ' ' LEU . 6.8 tmtt? -50.83 -38.38 48.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.949 -1.095 . . . . 0.0 109.889 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -120.48 150.83 40.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.044 -1.035 . . . . 0.0 109.555 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 8' ' ' ASN . 38.3 t -66.75 -38.13 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.811 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -61.24 -35.48 77.35 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.981 -1.074 . . . . 0.0 110.076 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -56.73 -37.13 70.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.79 -1.194 . . . . 0.0 110.094 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -76.38 -31.0 57.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.747 -1.221 . . . . 0.0 109.635 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.522 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -59.61 -40.01 86.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.99 -1.069 . . . . 0.0 109.735 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.16 -35.4 56.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.0 -1.063 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -72.8 -10.83 60.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.769 -1.207 . . . . 0.0 111.25 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.687 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.1 tt -100.19 -41.9 6.91 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.38 -1.45 . . . . 0.0 110.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -73.97 -42.57 60.27 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.76 -1.212 . . . . 0.0 109.856 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -38.02 89.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.07 -1.019 . . . . 0.0 109.752 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -104.67 36.29 2.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -82.31 93.76 7.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.916 -1.115 . . . . 0.0 109.075 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.13 53.56 2.48 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -125.1 164.92 28.79 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.128 -1.219 . . . . 0.0 109.648 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 129.76 9.82 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.798 1.665 . . . . 0.0 110.601 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 17.3 t80 -123.59 -59.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.083 -1.011 . . . . 0.0 108.929 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.53 65.66 0.65 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.014 -1.054 . . . . 0.0 109.096 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.11 40.44 25.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.075 . . . . 0.0 109.524 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.79 153.85 2.75 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.03 -1.043 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.52 143.01 21.29 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.783 1.656 . . . . 0.0 110.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.25 140.74 22.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.968 -1.083 . . . . 0.0 110.001 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -101.23 147.08 26.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.135 -0.978 . . . . 0.0 108.912 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.5 mt -109.5 139.33 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.018 -1.051 . . . . 0.0 110.077 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -140.62 140.0 34.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.059 -1.025 . . . . 0.0 108.831 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.522 ' OH ' HG23 ' A' ' 65' ' ' THR . 20.3 m-85 -51.0 176.1 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.804 -1.185 . . . . 0.0 109.974 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.85 164.97 12.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.995 -1.066 . . . . 0.0 109.508 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' HE2' ' C5 ' ' B' ' 43' ' ' ' C' . 23.4 mttm -70.61 -44.12 67.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.013 -1.055 . . . . 0.0 109.167 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 p -122.02 179.8 4.4 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.123 -0.986 . . . . 0.0 109.646 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.13 -175.98 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.24 168.95 9.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.084 -1.01 . . . . 0.0 109.519 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 0.8 OUTLIER -93.47 -22.92 18.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.05 -1.031 . . . . 0.0 111.047 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 HG21 ' A' ' 57' ' ' ILE . 2.0 pp -59.3 -23.93 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.58 -1.325 . . . . 0.0 109.434 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -73.15 -41.13 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.495 -1.378 . . . . 0.0 107.524 177.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.09 -36.03 60.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.206 -0.934 . . . . 0.0 109.878 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -72.91 -34.31 66.55 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.846 -1.159 . . . . 0.0 110.959 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.422 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.7 mmt -66.4 -28.25 68.48 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.179 -0.951 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -47.55 -34.78 8.07 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.75 -1.219 . . . . 0.0 109.021 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.38 -46.58 0.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 t 179.69 49.99 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.968 -1.313 . . . . 0.0 110.272 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 45.58 45.99 10.97 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.157 -0.964 . . . . 0.0 111.062 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.499 2.016 0 O-C-N 120.928 -1.107 . . . . 0.0 110.107 -179.741 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.538 ' C6 ' ' N3 ' ' B' ' 50' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C3'-C2'-C1' 104.348 3.164 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 110.998 2.798 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.099 2.899 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.409 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 110.844 2.644 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.409 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.536 1.972 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.457 ' C6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C5'-C4'-C3' 111.563 -2.624 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.442 ' N7 ' ' C2 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 C3'-C2'-C1' 104.35 3.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 111.598 3.398 . 0.019 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 110.953 2.753 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.502 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 O4'-C1'-N19 110.944 2.744 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C1'-N19 111.152 2.952 . 0.058 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 C3'-C2'-C1' 104.145 2.939 . 0.258 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.439 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.629 -2.581 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.439 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 O4'-C1'-N19 110.861 2.661 . 0.892 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.004 2.804 . 0.618 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.502 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.363 3.163 . 0.146 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.18 2.98 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 110.846 2.646 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.442 ' C2 ' ' N7 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.868 0 O4'-C1'-N19 110.993 2.793 . 0.52 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.158 2.958 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.91 0 O4'-C1'-N19 111.088 2.888 . 0.256 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.442 ' N2 ' ' O ' ' A' ' 48' ' ' LEU . . . . . . . . 0 P--O5' 1.613 2.023 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.465 ' N3 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.436 1.806 0 C5'-C4'-C3' 111.602 -2.599 . 0.057 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 110.871 2.671 . 0.111 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C5'-C4'-C3' 111.79 -2.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.23 3.03 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . 0.457 " O2'" " C5'" ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.068 0 O4'-C1'-N19 111.511 3.311 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.457 " C5'" " O2'" ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.188 2.988 . 0.158 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.151 2.951 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . 0.538 ' N3 ' ' C6 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 O4'-C1'-N19 110.694 2.494 . 0.359 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 11.6 t -73.08 -46.27 8.22 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.024 -1.048 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.4 Cg_endo -78.84 89.83 1.33 Allowed 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 121.067 1.178 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.31 -178.72 0.05 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.065 . . . . 0.0 109.365 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -92.54 155.77 17.58 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 109.243 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -88.67 152.13 48.74 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.085 -1.01 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HB3' HG23 ' A' ' 65' ' ' THR . 36.2 Cg_endo -78.39 110.95 2.95 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 121.836 1.691 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-20 -89.2 175.34 7.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.091 -1.005 . . . . 0.0 109.267 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.604 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t60 -68.47 -37.75 80.45 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.009 -1.057 . . . . 0.0 109.783 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.7 m -107.19 156.58 18.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.917 -1.114 . . . . 0.0 109.999 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.704 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 6.3 pt -117.49 147.69 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 108.894 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 80.0 t80 -117.48 147.03 43.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.188 -0.945 . . . . 0.0 109.77 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 16' ' ' LEU . 2.9 mt -126.88 148.06 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.975 . . . . 0.0 108.616 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' O ' HD12 ' A' ' 16' ' ' LEU . 5.1 t30 -139.79 -180.0 6.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.957 -1.089 . . . . 0.0 109.9 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.93 41.42 4.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.985 -1.072 . . . . 0.0 109.648 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 13' ' ' ILE . 10.9 mp -99.3 135.18 41.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.977 -1.077 . . . . 0.0 109.43 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.57 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.6 p30 -58.86 153.75 16.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.014 -1.054 . . . . 0.0 109.008 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -101.96 56.98 0.81 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 110.119 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -147.37 32.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.895 -1.128 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 77' ' ' TYR . 11.4 mm -105.12 154.03 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.785 -1.197 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -81.05 -179.7 7.47 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.76 -39.55 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.919 -1.113 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.29 -18.69 57.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.03 -1.044 . . . . 0.0 109.476 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 21.1 mt-10 -84.74 -41.84 15.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.683 -1.261 . . . . 0.0 110.238 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD13 HG21 ' A' ' 20' ' ' ILE . 11.5 tp -71.91 -36.37 69.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.906 -1.121 . . . . 0.0 110.144 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -76.0 -32.56 59.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.871 -1.143 . . . . 0.0 109.883 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -72.7 -25.77 61.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.811 -1.181 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -84.21 -37.94 21.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.567 -1.333 . . . . 0.0 110.342 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' CB ' HD13 ' A' ' 42' ' ' ILE . 19.5 mt -66.36 -47.65 72.73 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.916 -1.115 . . . . 0.0 109.516 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.8 t-80 -58.68 -26.15 63.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.22 -0.925 . . . . 0.0 111.044 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.3 -70.41 0.56 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.564 -1.335 . . . . 0.0 110.211 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -44.88 -56.88 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.957 -1.089 . . . . 0.0 111.773 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.7 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 15.5 m-85 -64.43 -35.28 80.4 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.846 -1.159 . . . . 0.0 110.704 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.595 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.5 t -54.4 -35.82 63.28 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.744 -1.223 . . . . 0.0 110.298 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -47.32 61.23 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.728 -1.233 . . . . 0.0 110.132 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 71.8 m-85 -59.88 -58.01 10.42 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.002 -1.062 . . . . 0.0 109.626 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.57 -148.82 4.96 Favored Glycine 0 N--CA 1.495 2.626 0 C-N-CA 119.774 -1.203 . . . . 0.0 110.108 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -97.84 142.15 29.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.32 . . . . 0.0 109.599 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.595 HD11 ' N ' ' A' ' 34' ' ' SER . 33.3 mt -109.3 119.51 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.999 -1.063 . . . . 0.0 109.314 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 59' ' ' LYS . 97.4 mt -61.57 -41.72 97.81 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.977 -1.077 . . . . 0.0 109.33 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.44 159.64 0.71 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.012 -1.055 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' CB ' ' A' ' 29' ' ' LEU . 28.3 mt -123.73 157.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.968 . . . . 0.0 109.011 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -139.13 141.81 38.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.912 -1.118 . . . . 0.0 109.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 25' ' ' LEU . 11.0 m -140.13 121.77 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 108.968 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.457 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 2.8 m -104.32 177.74 4.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.039 . . . . 0.0 109.752 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -146.55 35.7 0.96 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.046 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 p -91.76 -169.62 2.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.723 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N2 ' ' B' ' 42' ' ' ' G' . 4.9 tt -64.75 -40.15 94.8 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.763 -1.211 . . . . 0.0 109.758 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -79.18 -38.75 35.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.96 -1.088 . . . . 0.0 109.928 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mmt -96.44 53.08 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.7 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -107.22 39.46 1.88 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 109.37 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.62 55.57 0.02 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -169.61 170.35 8.15 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.059 -1.26 . . . . 0.0 110.342 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.4 170.81 17.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.773 -1.205 . . . . 0.0 109.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 52.5 m-85 -134.78 112.77 11.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.004 -1.06 . . . . 0.0 109.472 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.636 HG21 ' CE2' ' A' ' 33' ' ' PHE . 41.4 t -107.26 110.06 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.913 -1.117 . . . . 0.0 109.481 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.757 HG21 HD11 ' A' ' 92' ' ' ILE . 13.6 mt -91.71 125.23 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.155 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 71.0 m-85 -101.46 142.11 33.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.458 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -51.59 -39.72 58.47 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.982 -1.074 . . . . 0.0 109.754 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 153.76 34.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.055 -1.028 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 9' ' ' HIS . 43.4 t -69.99 -35.61 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.049 -1.032 . . . . 0.0 109.978 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 p -60.23 -37.47 80.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.895 -1.128 . . . . 0.0 110.037 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -59.2 -36.09 74.76 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.87 -1.144 . . . . 0.0 110.194 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.704 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -75.61 -29.09 59.11 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.733 -1.229 . . . . 0.0 109.648 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.6 m -63.69 -37.71 88.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.927 -1.108 . . . . 0.0 109.503 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -78.03 -32.15 50.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.69 -13.37 60.05 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.725 -1.235 . . . . 0.0 111.437 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -99.4 -43.41 6.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.391 -1.443 . . . . 0.0 110.444 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -76.82 -40.68 47.13 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 109.742 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 t -64.49 -35.81 82.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.134 -0.979 . . . . 0.0 109.81 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 63.9 mtp -103.14 36.53 2.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.32 101.93 0.27 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.99 -1.069 . . . . 0.0 109.042 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.09 68.64 1.53 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 2.4 m-85 -120.07 162.8 31.65 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.061 -1.258 . . . . 0.0 109.747 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.92 133.39 12.46 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.86 1.707 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -122.63 -59.24 1.63 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.078 -1.014 . . . . 0.0 108.82 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.689 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.2 m-85 -124.95 68.52 1.11 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.977 -1.077 . . . . 0.0 108.912 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.11 41.91 16.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.034 -1.041 . . . . 0.0 109.154 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -173.03 142.52 1.04 Allowed Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 120.999 -1.063 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.59 146.4 24.13 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.488 1.458 . . . . 0.0 110.149 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.69 138.45 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.995 -1.066 . . . . 0.0 110.345 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -99.92 150.13 22.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -0.99 . . . . 0.0 108.748 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.49 138.65 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.981 -1.074 . . . . 0.0 110.172 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -124.83 134.38 52.75 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 69.8 m-85 -48.39 143.14 5.01 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.019 -1.05 . . . . 0.0 110.814 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.15 -172.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HG3' ' N3 ' ' B' ' 43' ' ' ' C' . 4.6 mtmp? -97.21 -44.42 6.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.055 . . . . 0.0 109.716 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -118.64 179.8 4.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 109.822 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.64 -174.39 5.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.065 -1.022 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.2 OUTLIER -99.15 164.24 12.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.064 -1.022 . . . . 0.0 109.749 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.75 -35.13 39.24 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.986 -1.071 . . . . 0.0 109.944 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -54.45 -27.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.743 -1.223 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.7 mp -77.45 -39.53 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.456 -1.403 . . . . 0.0 108.397 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.88 -32.74 9.39 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.972 -1.08 . . . . 0.0 110.45 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' A' ' 96' ' ' MET . 6.1 mttp -73.74 -42.76 60.68 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.814 -1.178 . . . . 0.0 110.329 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.437 ' HE3' ' HB2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -63.77 -22.47 66.92 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.529 -0.732 . . . . 0.0 111.482 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.88 -39.44 59.0 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.501 -1.375 . . . . 0.0 108.27 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' HG22 ' A' ' 99' ' ' THR . . . 167.12 75.19 0.03 OUTLIER Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 98' ' ' GLY . 1.8 t 40.16 74.41 0.1 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.687 -0.89 . . . . 0.0 110.768 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -46.67 125.48 7.22 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.223 -0.923 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 110.917 2.717 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.064 0 O4'-C1'-N19 111.132 2.932 . 0.26 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 110.861 2.661 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.918 0 O4'-C1'-N19 110.914 2.714 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.902 0 O4'-C1'-N19 111.159 2.959 . 0.311 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.544 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C3'-C2'-C1' 104.142 2.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.475 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.274 0 O4'-C1'-N19 111.564 3.364 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 110.908 2.708 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-C3' 111.623 -2.585 . 0.063 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 111.134 2.934 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C3'-C2'-C1' 104.181 2.979 . 0.309 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 C5'-C4'-C3' 111.607 -2.595 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.987 2.787 . 0.891 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.102 0 O4'-C1'-N19 111.199 2.999 . 0.652 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.052 2.852 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C1'-N19 111.252 3.052 . 0.234 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 110.901 2.701 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.49 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.959 0 O4'-C1'-N19 110.958 2.758 . 0.44 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.798 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.429 -1.979 0 O4'-C1'-N19 111.084 2.884 . 0.224 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.416 ' OP1' ' C2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 111.575 -2.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.433 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 O4'-C1'-N19 110.851 2.651 . 0.066 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.455 ' C6 ' ' HE2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.435 1.781 0 O4'-C1'-N19 110.925 2.725 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.461 ' H61' ' HA ' ' A' ' 90' ' ' SER . . . . . . . . 0 O4'--C1' 1.437 1.896 0 C5'-C4'-C3' 111.474 -2.684 . 0.069 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.445 ' N3 ' ' HB2' ' A' ' 91' ' ' ASP . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 O4'-C1'-N19 111.506 3.306 . 0.09 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.544 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.13 0 O4'-C1'-N19 111.305 3.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.046 0 O4'-C1'-N19 111.564 3.364 . 0.428 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 O4'-C1'-N19 111.119 2.919 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 110.904 2.704 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 110.778 2.578 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.4 p -140.53 68.29 31.26 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.3 170.05 20.19 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.803 1.668 . . . . 0.0 110.372 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 156.52 29.0 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.133 -0.979 . . . . 0.0 109.602 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -99.13 -46.85 5.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 109.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 0.2 OUTLIER 62.73 153.52 0.11 Allowed Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.064 -1.022 . . . . 0.0 109.513 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.06 139.85 17.46 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.73 1.62 . . . . 0.0 110.158 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.538 ' C ' HG13 ' A' ' 61' ' ' VAL . 3.9 m120 -135.59 157.17 47.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.027 . . . . 0.0 109.597 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -57.17 -39.35 75.12 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.126 -0.984 . . . . 0.0 109.632 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.9 m -108.44 140.75 41.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.984 -1.072 . . . . 0.0 109.784 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.705 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.4 pt -100.66 147.99 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 0.0 109.152 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 79.9 t80 -118.02 122.44 43.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.88 148.64 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.118 -0.989 . . . . 0.0 109.057 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -146.71 -175.06 4.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.991 -1.068 . . . . 0.0 109.698 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.95 40.83 22.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.044 -1.035 . . . . 0.0 109.391 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 53' ' ' GLN . 5.6 mt -100.23 143.64 30.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.599 ' OD1' HD11 ' A' ' 20' ' ' ILE . 10.2 p30 -60.96 153.73 24.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.078 -1.014 . . . . 0.0 108.725 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' OE2' ' C2 ' ' B' ' 40' ' ' ' U' . 4.5 mt-10 -100.4 59.32 0.99 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.0 109.959 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -148.51 33.6 0.79 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.048 . . . . 0.0 110.403 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.738 HG21 HD13 ' A' ' 25' ' ' LEU . 7.1 mm -111.48 153.74 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.821 -1.175 . . . . 0.0 109.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -83.88 -178.74 7.08 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -86.87 -39.97 15.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.882 -1.137 . . . . 0.0 109.309 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.12 -23.04 54.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.082 -1.011 . . . . 0.0 109.1 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.9 tt0 -79.74 -44.31 20.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.864 -1.147 . . . . 0.0 110.127 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 20' ' ' ILE . 10.4 tp -69.86 -31.17 68.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.91 -1.119 . . . . 0.0 110.514 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 ttmt -76.35 -32.18 58.49 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.762 -1.211 . . . . 0.0 109.997 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -34.94 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.818 -1.176 . . . . 0.0 110.423 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 t -78.47 -33.51 48.26 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.763 -1.211 . . . . 0.0 110.389 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.84 -42.62 90.28 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.757 -1.214 . . . . 0.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.415 ' O ' ' OG ' ' A' ' 34' ' ' SER . 9.5 t-80 -64.56 -27.75 69.17 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.218 -0.926 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -69.4 0.58 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.611 -1.306 . . . . 0.0 110.061 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -54.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.982 -1.074 . . . . 0.0 111.906 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 39.4 m-85 -67.53 -36.5 81.14 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.839 -1.163 . . . . 0.0 111.295 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.598 ' N ' HD11 ' A' ' 39' ' ' ILE . 12.2 p -55.75 -35.42 66.17 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.659 -1.276 . . . . 0.0 110.267 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -51.42 -45.84 62.72 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.701 -1.249 . . . . 0.0 110.023 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 67.7 m-85 -53.47 -62.16 1.83 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.963 -1.085 . . . . 0.0 109.816 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.48 -122.84 1.11 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -122.65 129.94 52.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.057 -1.26 . . . . 0.0 109.398 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.598 HD11 ' N ' ' A' ' 34' ' ' SER . 13.5 mt -96.12 134.59 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 0.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.85 -42.03 18.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.056 . . . . 0.0 109.604 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.13 157.48 18.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.136 -0.978 . . . . 0.0 110.27 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.42 115.43 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.025 . . . . 0.0 109.209 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.59 112.75 24.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.855 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 26' ' ' LYS . 7.8 t -93.5 161.3 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.018 -1.051 . . . . 0.0 108.378 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.456 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.7 OUTLIER -133.06 130.83 39.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.934 -1.103 . . . . 0.0 109.797 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -120.59 30.96 6.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.084 -1.01 . . . . 0.0 110.37 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 t -103.26 159.82 15.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.695 -1.253 . . . . 0.0 109.027 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.798 HD21 " O2'" ' B' ' 40' ' ' ' U' . 2.5 tt -57.67 -57.27 13.45 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.853 -1.154 . . . . 0.0 109.515 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -54.19 -37.19 64.23 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.003 -1.06 . . . . 0.0 110.07 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.41 51.87 0.73 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 0.0 109.107 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.6 ttt-85 -105.37 154.2 20.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.106 -0.996 . . . . 0.0 109.521 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.58 93.55 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 7.3 pt20 -158.73 159.89 35.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.919 -1.342 . . . . 0.0 109.827 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.44 171.12 16.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.927 -1.108 . . . . 0.0 109.912 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -132.48 132.01 42.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 109.031 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' THR . 22.4 t -129.55 147.38 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 109.562 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.036 HG21 HD11 ' A' ' 92' ' ' ILE . 53.4 mt -127.62 138.2 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.007 -1.058 . . . . 0.0 108.648 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE1' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -124.0 153.49 41.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.069 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 117.94 5.28 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 71.69 156.47 0.16 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 9' ' ' HIS . 35.5 t -74.84 -30.46 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.08 -1.012 . . . . 0.0 110.857 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 p -58.07 -38.48 76.43 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.746 -1.221 . . . . 0.0 110.594 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 29.3 t -58.62 -37.19 75.36 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.82 -1.175 . . . . 0.0 110.47 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.25 -28.13 56.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.723 -1.236 . . . . 0.0 109.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.757 HG22 ' HD2' ' A' ' 69' ' ' ARG . 4.3 m -59.28 -38.46 80.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.801 -1.187 . . . . 0.0 109.574 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.17 -35.17 31.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.974 -1.079 . . . . 0.0 109.843 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -64.16 -19.95 65.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.774 -1.204 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.26 -52.15 3.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.386 -1.446 . . . . 0.0 110.966 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -55.86 -40.51 73.01 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.844 -1.16 . . . . 0.0 110.163 -179.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 2.4 m -69.18 -33.71 73.79 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.03 -1.044 . . . . 0.0 110.331 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -101.43 35.36 2.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.761 -1.212 . . . . 0.0 110.167 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.57 96.12 1.92 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.878 -1.139 . . . . 0.0 108.946 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.8 69.43 1.4 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -130.52 161.68 59.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.266 . . . . 0.0 109.442 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 34.7 Cg_endo -76.47 138.21 19.36 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.828 1.685 . . . . 0.0 110.158 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 6.6 t80 -129.68 -59.94 1.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.109 -0.994 . . . . 0.0 109.315 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.709 ' CD2' HD12 ' A' ' 20' ' ' ILE . 2.9 m-85 -122.79 69.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.032 -1.042 . . . . 0.0 109.099 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.8 42.06 20.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.951 -1.093 . . . . 0.0 109.098 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 80' ' ' PRO . 19.3 tttp -176.79 140.91 0.49 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.116 -0.99 . . . . 0.0 109.771 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 79' ' ' LYS . 34.5 Cg_endo -76.61 148.16 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 121.399 1.399 . . . . 0.0 110.134 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.2 143.36 24.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.078 -1.014 . . . . 0.0 110.004 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -98.01 146.68 25.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.94 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.801 HG22 HD11 ' A' ' 68' ' ' LEU . 55.6 mt -112.44 137.91 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.031 -1.043 . . . . 0.0 110.153 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -132.7 135.34 45.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 108.541 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 60.5 m-85 -47.91 169.22 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.053 -1.029 . . . . 0.0 110.901 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.97 128.19 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HE2' ' C6 ' ' B' ' 43' ' ' ' C' . 0.8 OUTLIER -54.69 -37.99 66.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.906 -1.121 . . . . 0.0 109.892 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 2.7 p -99.66 178.94 4.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.935 -1.103 . . . . 0.0 109.537 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' O ' ' N6 ' ' B' ' 44' ' ' ' A' . 35.2 m-20 -116.82 175.87 5.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.965 -1.084 . . . . 0.0 109.538 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.461 ' HA ' ' H61' ' B' ' 44' ' ' ' A' . 9.3 p -98.24 165.25 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.353 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 15.3 t70 -103.09 -8.46 20.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.087 -1.008 . . . . 0.0 111.75 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 1.036 HD11 HG21 ' A' ' 57' ' ' ILE . 1.1 pt -56.56 -24.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.305 -1.497 . . . . 0.0 109.487 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.7 mm -77.55 -40.35 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 120.56 -1.337 . . . . 0.0 108.216 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.86 -37.91 64.16 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.048 -1.033 . . . . 0.0 110.028 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -69.3 -35.23 75.78 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.961 -1.087 . . . . 0.0 110.965 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.406 ' N ' ' CE ' ' A' ' 96' ' ' MET . 29.9 mmt -65.88 -30.25 70.82 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.277 -0.889 . . . . 0.0 110.05 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -48.86 -35.55 14.95 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.797 -1.189 . . . . 0.0 109.439 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 101' ' ' VAL . . . 149.26 69.8 0.01 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.408 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.2 t 38.52 45.05 0.82 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.648 -0.913 . . . . 0.0 111.358 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.4 t80 45.53 91.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.134 -0.978 . . . . 0.0 110.994 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 98' ' ' GLY . 97.3 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.05 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 O4'-C1'-N19 110.906 2.706 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.428 ' C5 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.842 0 O4'-C1'-N19 110.998 2.798 . 0.444 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.428 ' C4 ' ' C5 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 110.974 2.774 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.53 ' N6 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.898 0 O4'-C1'-N19 110.96 2.76 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.53 ' C6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.97 0 O4'-C1'-N19 111.186 2.986 . 0.342 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.449 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.453 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C3'-C2'-C1' 104.25 3.056 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.132 0 O4'-C1'-N19 111.397 3.197 . 0.089 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 110.914 2.714 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.537 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.246 0 O4'-C1'-N19 111.581 3.381 . 0.138 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.537 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.103 2.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C3'-C2'-C1' 104.237 3.041 . 0.3 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C5'-C4'-C3' 111.63 -2.58 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 110.883 2.683 . 0.899 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.411 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.145 2.945 . 0.609 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.411 ' C6 ' ' C6 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 O4'-C1'-N19 111.109 2.909 . 0.347 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.429 " O2'" " O4'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.987 0 O4'-C1'-N19 111.157 2.957 . 0.287 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . 0.429 " O4'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 110.818 2.618 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C1'-N19 111.038 2.838 . 0.419 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.018 2.818 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 110.773 2.573 . 0.01 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.442 ' C5 ' ' OE1' ' A' ' 53' ' ' GLN . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 O4'-C1'-N19 110.854 2.654 . 0.453 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.458 ' C5 ' ' CE2' ' A' ' 12' ' ' TYR . . . . . . . . 0 P--O5' 1.612 1.879 0 O4'-C1'-N19 110.917 2.717 . 0.064 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.537 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C4' 1.429 -1.985 0 O4'-C1'-N19 110.965 2.765 . 0.291 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.529 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 110.849 2.649 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.142 0 O4'-C1'-N19 111.497 3.297 . 0.11 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.483 ' N1 ' ' N1 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.077 0 O4'-C1'-N19 111.061 2.861 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 O4'-C1'-N19 110.945 2.745 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 O4'-C1'-N19 110.842 2.642 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 2' ' ' VAL . 19.3 m -140.07 71.83 34.16 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.012 -1.055 . . . . 0.0 109.562 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.06 109.5 2.71 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.899 1.733 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -57.34 179.52 0.05 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.006 -1.059 . . . . 0.0 109.518 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -139.71 150.05 44.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.4 158.76 13.61 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.1 Cg_endo -78.11 135.73 14.02 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.857 1.705 . . . . 0.0 110.373 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 m-20 -105.24 172.96 6.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.528 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.92 -39.53 34.54 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.078 -1.014 . . . . 0.0 109.438 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.5 m -107.32 156.32 19.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.994 -1.066 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.601 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 30.0 pt -113.79 160.22 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 108.579 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' ILE . 42.8 t80 -125.36 121.73 34.77 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.28 152.18 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.897 -1.127 . . . . 0.0 109.077 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.35 159.82 41.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.018 . . . . 0.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t30 71.16 71.67 0.18 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.045 -1.035 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' GLY . 30.4 mt -123.65 -175.19 3.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.004 -1.06 . . . . 0.0 109.024 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.53 148.18 48.51 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.921 -1.112 . . . . 0.0 109.171 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.92 35.49 2.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.047 -1.033 . . . . 0.0 110.289 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -154.29 38.42 0.44 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.869 -1.144 . . . . 0.0 109.705 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 25' ' ' LEU . 14.1 mm -105.08 156.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.068 -1.02 . . . . 0.0 110.583 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -173.46 3.58 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 121.402 -0.811 . . . . 0.0 109.189 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HE2' ' N6 ' ' B' ' 24' ' ' ' A' . 42.4 mttt -86.87 -37.66 17.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.021 -1.049 . . . . 0.0 109.6 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.15 -22.73 48.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.121 -0.987 . . . . 0.0 109.319 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.1 tp10 -82.61 -40.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.686 -1.259 . . . . 0.0 110.281 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 29' ' ' LEU . 8.7 tp -76.88 -28.07 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.95 -1.094 . . . . 0.0 110.727 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -85.61 -24.19 27.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.625 -1.297 . . . . 0.0 109.773 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -78.06 -24.15 47.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.576 -1.328 . . . . 0.0 110.156 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -95.5 -41.93 8.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.568 -1.332 . . . . 0.0 110.954 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -77.09 -31.65 56.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.815 -1.178 . . . . 0.0 109.783 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 59.1 t-80 -66.18 -29.65 69.97 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.788 -1.195 . . . . 0.0 109.28 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.18 -58.45 3.27 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.775 -1.203 . . . . 0.0 109.754 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -57.79 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.134 . . . . 0.0 111.129 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.772 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 27.5 m-85 -63.93 -29.69 70.84 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.758 -1.214 . . . . 0.0 111.204 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -62.34 -33.04 73.92 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.736 -1.228 . . . . 0.0 111.209 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -32.48 19.86 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.638 -1.289 . . . . 0.0 110.932 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -64.6 -60.5 3.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.654 -1.279 . . . . 0.0 109.35 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.82 -96.46 0.17 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -147.87 134.91 20.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.237 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 65.3 mt -97.13 118.24 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.151 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 92' ' ' ILE . 1.1 tp -62.76 -43.2 99.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.989 -1.07 . . . . 0.0 109.355 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.98 146.32 0.24 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.1 -1.0 . . . . 0.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 55' ' ' PHE . 9.7 mt -119.39 141.77 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.092 -1.005 . . . . 0.0 109.106 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.47 134.64 53.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.994 -1.067 . . . . 0.0 110.306 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 44' ' ' VAL . 17.3 m -143.37 121.36 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.449 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 15.7 m -114.36 -177.73 3.2 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.884 -1.135 . . . . 0.0 110.08 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 33.07 3.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 p -85.45 172.58 10.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.705 -1.247 . . . . 0.0 108.665 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 1.8 tt -61.15 -42.99 99.54 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.783 -1.198 . . . . 0.0 109.912 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -99.41 62.63 1.24 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.0 109.64 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.51 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 151.0 2.14 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.867 -1.146 . . . . 0.0 110.059 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 101.18 -36.44 4.2 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -113.92 179.45 3.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.939 -1.33 . . . . 0.0 109.177 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.35 173.14 17.11 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.994 -1.067 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 42' ' ' ILE . 97.5 m-85 -129.71 139.72 51.28 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.03 -1.043 . . . . 0.0 109.136 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.04 98.6 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.87 -1.144 . . . . 0.0 109.571 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 92' ' ' ILE . 3.3 mp -85.48 118.48 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.971 -1.081 . . . . 0.0 109.235 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -91.5 144.78 25.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.103 -0.998 . . . . 0.0 109.173 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -47.78 -36.7 12.06 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.156 -0.965 . . . . 0.0 110.914 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.98 155.75 43.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.821 -1.174 . . . . 0.0 110.008 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 8' ' ' ASN . 47.9 t -62.95 -37.18 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.096 -1.002 . . . . 0.0 109.643 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -61.44 -36.54 80.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.916 -1.115 . . . . 0.0 109.804 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -34.99 72.96 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.86 -1.15 . . . . 0.0 110.278 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.89 -28.76 55.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.751 -1.218 . . . . 0.0 109.889 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.537 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.5 m -66.36 -36.79 83.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.859 -1.151 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.34 -37.19 52.94 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.871 -1.143 . . . . 0.0 109.642 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.772 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.64 -23.83 66.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.865 -1.147 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -88.9 -36.16 16.1 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.484 -1.385 . . . . 0.0 110.405 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -66.83 -35.22 79.54 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.875 -1.141 . . . . 0.0 110.342 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -88.41 -34.11 17.66 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.909 -1.119 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.4 mtp -101.49 34.32 2.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.775 -1.203 . . . . 0.0 110.31 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 96.11 4.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.176 . . . . 0.0 108.523 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.04 60.12 2.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.41 159.21 42.64 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.123 -1.222 . . . . 0.0 109.941 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.67 140.38 20.99 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.798 1.665 . . . . 0.0 110.115 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CZ ' ' CE1' ' A' ' 77' ' ' TYR . 15.0 t80 -135.75 -61.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.128 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.0 m-85 -115.99 70.54 0.76 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.048 -1.032 . . . . 0.0 109.603 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.45 42.02 25.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.037 -1.039 . . . . 0.0 109.818 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 152.76 0.77 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.947 -1.096 . . . . 0.0 110.188 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.27 148.91 24.45 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.821 1.681 . . . . 0.0 110.034 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -149.14 120.9 8.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.991 -1.068 . . . . 0.0 110.073 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -91.22 151.94 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.083 -1.011 . . . . 0.0 108.809 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.573 HG22 HD11 ' A' ' 68' ' ' LEU . 57.8 mt -127.37 137.57 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.103 -0.998 . . . . 0.0 110.563 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.08 145.33 50.38 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' OH ' HG23 ' A' ' 65' ' ' THR . 11.6 m-85 -49.5 136.2 16.9 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.036 -1.04 . . . . 0.0 110.152 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.26 179.71 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.013 -1.054 . . . . 0.0 109.656 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' HG3' ' N3 ' ' B' ' 43' ' ' ' C' . 21.7 mttm -93.21 -47.35 6.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.685 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -111.41 178.9 4.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.01 . . . . 0.0 109.633 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 13.5 m-20 -81.98 -173.16 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.033 -1.042 . . . . 0.0 109.245 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.467 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 2.8 t -99.74 150.9 21.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.068 -1.02 . . . . 0.0 109.664 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.04 -31.41 30.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.099 -1.001 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.699 HD12 HD23 ' A' ' 40' ' ' LEU . 1.4 pt -58.72 -27.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.715 -1.241 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp -80.12 -30.65 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 O-C-N 120.443 -1.41 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.19 19.05 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.529 -1.357 . . . . 0.0 110.159 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -91.2 -25.31 19.59 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.687 -1.258 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 92' ' ' ILE . 28.3 mmt -65.77 -29.51 70.02 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.991 -1.068 . . . . 0.0 110.202 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -47.3 -35.64 8.21 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.767 -1.208 . . . . 0.0 108.981 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.72 -56.31 0.17 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 t -179.92 49.24 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.265 . . . . 0.0 110.309 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.7 t80 44.12 79.07 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.178 -0.951 . . . . 0.0 111.2 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.027 -1.045 . . . . 0.0 109.142 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.942 0 O4'-C1'-N19 110.949 2.749 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.995 0 O4'-C1'-N19 111.024 2.824 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 110.986 2.786 . 0.341 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 C5'-C4'-C3' 111.492 -2.672 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.122 0 O4'-C1'-N19 111.146 2.946 . 0.058 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.535 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C3'-C2'-C1' 104.315 3.128 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.529 ' N2 ' ' C2 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.529 ' C2 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.192 0 O4'-C1'-N19 111.372 3.172 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.424 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 110.953 2.753 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 O4'-C1'-N19 110.776 2.576 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.413 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.174 2.974 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C3'-C2'-C1' 104.198 2.997 . 0.432 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.429 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C5'-C4'-C3' 111.617 -2.588 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.429 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 110.824 2.624 . 0.873 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 O4'-C1'-N19 111.12 2.92 . 0.593 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.417 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 111.068 2.868 . 0.051 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.417 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.925 0 O4'-C1'-N19 111.077 2.877 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . 0.415 ' N3 ' ' C6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.114 2.914 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 O4'-C1'-N19 110.97 2.77 . 0.468 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 111.391 3.191 . 0.295 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.869 0 C5'-C4'-C3' 111.422 -2.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.449 " O2'" ' HG2' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 110.915 2.715 . 0.228 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.42 " O2'" ' OP2' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.069 0 O4'-C1'-N19 111.128 2.928 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.53 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.963 0 O4'-C1'-N19 110.987 2.787 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.53 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.075 2.875 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.535 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.072 0 O4'-C1'-N19 111.25 3.05 . 0.386 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.901 0 O4'-C1'-N19 111.526 3.326 . 0.192 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.076 0 O4'-C1'-N19 111.201 3.001 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C5'-C4'-C3' 111.656 -2.563 . 0.16 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.036 2.836 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.1 p -149.16 63.06 6.45 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.45 86.38 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 121.779 1.653 . . . . 0.0 110.311 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -70.69 104.44 2.84 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.019 -1.05 . . . . 0.0 109.701 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 5' ' ' THR . 26.5 m 55.21 39.66 31.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.842 -1.161 . . . . 0.0 109.91 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 55.92 84.55 0.21 Allowed Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 120.962 -1.086 . . . . 0.0 109.648 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.56 138.85 17.66 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.804 1.669 . . . . 0.0 110.486 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m120 -116.9 -178.26 3.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.081 -1.012 . . . . 0.0 109.43 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.83 30.75 5.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.038 -1.039 . . . . 0.0 110.336 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 ' OG1' HG12 ' A' ' 57' ' ' ILE . 56.7 m -167.92 110.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.775 -1.203 . . . . 0.0 110.319 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 33' ' ' PHE . 2.9 pt -72.72 167.37 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.918 -1.114 . . . . 0.0 108.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -138.92 133.8 32.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.955 -1.09 . . . . 0.0 109.634 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 29' ' ' LEU . 3.1 mt -126.95 146.45 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.918 -1.114 . . . . 0.0 109.475 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -144.71 -173.77 4.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.023 -1.048 . . . . 0.0 109.621 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 62.06 44.2 8.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.038 -1.039 . . . . 0.0 109.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLN . 44.0 mt -89.19 -173.61 4.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HB3' HD11 ' A' ' 20' ' ' ILE . 2.3 t-20 -81.13 153.11 27.46 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 109.157 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.27 42.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 109.834 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -148.24 33.93 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.912 -1.118 . . . . 0.0 110.095 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -121.22 157.22 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.084 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -94.77 -170.5 2.24 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.214 -0.929 . . . . 0.0 109.131 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -84.25 -36.42 22.72 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.027 -1.046 . . . . 0.0 110.011 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.79 -31.95 72.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.958 -1.089 . . . . 0.0 108.796 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' A' ' 20' ' ' ILE . 15.8 mt-10 -74.7 -53.25 9.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 109.398 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -51.32 -30.68 19.12 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.011 -1.056 . . . . 0.0 111.115 -179.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -78.55 -39.06 38.88 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.68 -1.262 . . . . 0.0 109.707 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -23.66 67.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.995 -1.066 . . . . 0.0 110.943 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 24.0 m -90.96 -43.87 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.406 -1.434 . . . . 0.0 110.736 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 32' ' ' ILE . 26.2 mt -60.85 -33.54 73.21 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.888 -1.133 . . . . 0.0 110.963 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.711 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.3 t-80 -72.36 -45.82 58.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.135 . . . . 0.0 110.393 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.39 76.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.045 -1.034 . . . . 0.0 110.469 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -61.86 -53.75 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.895 -1.128 . . . . 0.0 110.951 -178.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.833 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 13.9 m-85 -96.86 43.98 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.888 -1.132 . . . . 0.0 111.275 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.5 t -114.53 -55.17 2.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.778 -1.201 . . . . 0.0 109.737 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -37.54 62.56 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.931 -1.106 . . . . 0.0 110.093 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -54.93 -62.25 1.78 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.917 -1.114 . . . . 0.0 109.892 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.93 -137.86 3.43 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.44 135.95 53.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.264 . . . . 0.0 109.505 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.711 HD12 ' CD2' ' A' ' 30' ' ' HIS . 67.6 mt -99.35 118.1 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.09 -1.006 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD23 HD12 ' A' ' 92' ' ' ILE . 1.9 tp -69.98 -41.67 74.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.052 -1.03 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -177.09 154.57 1.08 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mt -117.97 156.23 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.083 -1.011 . . . . 0.0 108.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -126.37 125.47 42.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.967 -1.083 . . . . 0.0 109.956 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.14 138.78 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.138 -0.976 . . . . 0.0 109.035 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.482 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 3.1 m -127.72 164.2 22.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.948 -1.095 . . . . 0.0 109.886 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -127.44 40.24 3.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.091 -1.006 . . . . 0.0 109.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 t -86.14 159.33 19.55 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.946 -1.096 . . . . 0.0 108.781 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 7.6 tt -49.43 -36.29 21.87 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.89 -1.131 . . . . 0.0 110.591 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HG2' " O2'" ' B' ' 42' ' ' ' G' . 0.3 OUTLIER -91.71 -30.22 16.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.006 -1.059 . . . . 0.0 110.469 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 19.8 mtp -106.26 39.78 1.74 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.771 -1.206 . . . . 0.0 110.709 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.22 37.3 1.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.769 -1.207 . . . . 0.0 110.281 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 48.41 0.11 Allowed Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -171.08 156.81 4.94 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -1.199 . . . . 0.0 110.009 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -151.94 148.82 28.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.914 -1.116 . . . . 0.0 110.273 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.58 118.6 36.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 108.936 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -98.31 130.13 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.944 -1.097 . . . . 0.0 109.563 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.942 HG21 HD11 ' A' ' 92' ' ' ILE . 24.7 mt -114.96 142.36 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 108.825 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 28.1 m-85 -117.74 150.88 38.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.933 -1.104 . . . . 0.0 109.643 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -50.87 -39.31 53.63 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.945 -1.097 . . . . 0.0 109.754 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -116.85 176.61 5.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.963 -1.085 . . . . 0.0 109.399 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG22 ' ND1' ' A' ' 9' ' ' HIS . 26.5 t -88.41 -35.57 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.965 -1.085 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.2 p -58.41 -35.94 72.81 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.903 -1.123 . . . . 0.0 110.252 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -62.19 -37.78 86.61 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.749 -1.219 . . . . 0.0 110.139 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.52 61.92 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.925 -1.11 . . . . 0.0 109.606 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 24.2 m -69.45 -36.93 77.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.138 . . . . 0.0 109.823 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -70.51 -41.97 71.92 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.989 -1.069 . . . . 0.0 108.884 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.94 -38.69 70.64 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.038 -1.039 . . . . 0.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.69 -33.82 69.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.999 -1.063 . . . . 0.0 110.37 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -94.09 56.66 2.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.813 -1.179 . . . . 0.0 109.445 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -144.75 -60.45 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.148 -0.97 . . . . 0.0 109.245 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.8 mmm -111.02 39.59 2.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.071 -1.018 . . . . 0.0 109.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.7 111.87 1.13 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.952 -1.092 . . . . 0.0 109.136 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.25 63.66 4.36 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.34 166.15 31.35 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.035 -1.273 . . . . 0.0 109.756 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.14 123.88 6.37 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.951 1.767 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 20.0 t80 -126.2 -59.85 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.1 -1.0 . . . . 0.0 109.179 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.675 ' CE2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-85 -108.71 61.77 0.6 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.341 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.05 41.33 17.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.001 -1.062 . . . . 0.0 109.539 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 179.49 160.99 0.78 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.918 -1.114 . . . . 0.0 110.206 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.33 146.47 28.12 Favored 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.728 1.619 . . . . 0.0 110.213 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -147.16 137.34 23.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.078 . . . . 0.0 110.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -103.9 150.68 23.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.155 -0.966 . . . . 0.0 109.011 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.67 137.65 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.045 . . . . 0.0 110.101 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.19 135.54 27.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.146 -0.971 . . . . 0.0 108.777 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 14.4 m-85 -51.71 171.03 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 109.615 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.94 173.54 10.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.014 -1.054 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -86.61 -48.05 8.66 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.027 -1.045 . . . . 0.0 109.306 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.0 p -111.28 176.66 4.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.968 -1.083 . . . . 0.0 109.371 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.437 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 2.8 p30 -79.27 175.41 10.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.462 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 12.2 m -97.24 147.82 23.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 109.369 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.69 -25.62 49.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.028 -1.045 . . . . 0.0 110.758 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -58.0 -23.29 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.594 -1.316 . . . . 0.0 109.497 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -78.37 -38.89 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.393 -1.442 . . . . 0.0 108.089 178.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.83 63.3 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.005 -1.059 . . . . 0.0 109.72 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -70.21 -35.23 73.75 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.872 -1.142 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.7 mmt -64.07 -29.53 70.66 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.336 -0.852 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -48.72 -37.31 18.41 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.737 -1.227 . . . . 0.0 109.318 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 99' ' ' THR . . . 152.58 84.78 0.05 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.407 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.2 t 38.42 38.62 0.24 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.612 -0.934 . . . . 0.0 111.426 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.5 t80 45.26 85.77 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.224 -0.923 . . . . 0.0 111.079 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.5 2.055 0 O-C-N 120.921 -1.112 . . . . 0.0 110.176 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 110.927 2.727 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.529 ' C6 ' ' N4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.874 0 O4'-C1'-N19 110.936 2.736 . 0.481 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.529 ' N4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 110.921 2.721 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.512 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.163 2.963 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.449 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.167 0 O4'-C1'-N19 111.367 3.167 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.449 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.033 0 O4'-C1'-N19 110.944 2.744 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.538 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 111.577 3.377 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 O4'-C1'-N19 111.137 2.937 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.202 0 O4'-C1'-N19 111.011 2.811 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.45 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O4'-C1'-N19 111.056 2.856 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.46 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.98 0 C3'-C2'-C1' 104.384 3.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C3'-C2'-C1' 104.256 3.062 . 0.046 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.549 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 111.448 -2.701 . 0.291 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.549 ' N2 ' ' N1 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C3'-C2'-C1' 104.068 2.853 . 0.463 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.546 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.203 0 O4'-C1'-N19 111.204 3.004 . 0.239 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.45 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.299 3.099 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 O4'-C1'-N19 111.303 3.103 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 110.847 2.647 . 0.342 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.535 ' C2 ' ' C6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.008 0 O4'-C1'-N19 111.076 2.876 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C1'-N19 110.98 2.78 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.404 ' C2 ' ' O6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.904 0 O4'-C1'-N19 110.879 2.679 . 0.241 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.612 " O2'" ' P ' ' B' ' 43' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.545 1.88 0 O4'-C1'-N19 111.261 3.061 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.612 ' P ' " O2'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.915 0 P-O3'-C3' 123.072 2.81 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.544 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.609 1.632 0 C5'-C4'-C3' 111.588 -2.608 . 0.036 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.544 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 O4'-C1'-N19 111.054 2.854 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 0 O4'-C1'-N19 111.267 3.067 . 0.168 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 111.596 3.396 . 0.091 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.512 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.0 0 O4'-C1'-N19 111.063 2.863 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 O4'-C1'-N19 111.239 3.039 . 0.304 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 O4'-C1'-N19 111.099 2.899 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.2 85.87 8.63 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.075 -1.016 . . . . 0.0 109.473 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.96 143.91 21.01 Favored 'Trans proline' 0 C--N 1.322 -0.829 0 C-N-CA 121.794 1.662 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.35 172.78 13.33 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.034 -1.041 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -145.17 107.94 4.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.049 -1.032 . . . . 0.0 109.45 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.5 mtt85 -90.74 153.18 45.45 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.088 -1.007 . . . . 0.0 109.236 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.36 133.87 13.57 Favored 'Trans proline' 0 C--N 1.323 -0.814 0 C-N-CA 121.731 1.621 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.727 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -130.07 -171.93 2.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.04 -39.54 11.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -103.35 156.64 17.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.718 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.771 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 25.3 pt -116.55 161.13 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.157 -0.964 . . . . 0.0 108.775 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.536 ' CD2' ' N4 ' ' B' ' 43' ' ' ' C' . 70.8 t80 -128.01 149.44 50.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 109.721 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.28 146.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 108.847 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.9 p-10 -145.86 -174.99 4.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.983 -1.073 . . . . 0.0 109.726 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 66.07 41.83 3.46 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.87 -1.144 . . . . 0.0 109.397 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mt -104.61 142.35 34.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.056 -1.027 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.813 ' OD1' HD11 ' A' ' 20' ' ' ILE . 34.0 p-10 -55.25 153.15 7.31 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.07 -1.019 . . . . 0.0 109.482 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -99.78 59.04 1.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.883 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -152.35 37.17 0.53 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.975 -1.078 . . . . 0.0 109.927 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.813 HD11 ' OD1' ' A' ' 17' ' ' ASN . 3.7 mt -111.85 156.07 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.912 -1.118 . . . . 0.0 110.379 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 20' ' ' ILE . 6.2 mtpp -95.81 -177.76 4.15 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -82.7 -37.76 24.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.837 -1.164 . . . . 0.0 109.959 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.78 -22.72 58.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.068 -1.02 . . . . 0.0 109.619 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 2.8 tp10 -81.63 -42.58 19.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.711 -1.243 . . . . 0.0 110.064 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.9 tp -75.19 -19.89 59.59 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 110.772 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -86.09 -32.78 21.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.568 -1.332 . . . . 0.0 109.533 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -75.62 -29.8 59.33 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.789 -1.195 . . . . 0.0 110.286 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 m -87.11 -34.92 18.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 32' ' ' ILE . 39.3 mt -73.23 -56.06 5.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.715 -1.241 . . . . 0.0 109.615 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 3.3 t-80 -53.35 -28.43 28.81 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.113 -0.992 . . . . 0.0 110.711 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -68.39 0.58 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.284 . . . . 0.0 109.921 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.75 -59.28 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.129 -0.982 . . . . 0.0 112.28 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 35.2 m-85 -61.79 -36.51 81.3 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.696 -1.252 . . . . 0.0 110.368 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -54.56 -34.84 62.56 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.776 -1.202 . . . . 0.0 110.573 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -46.28 69.96 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.615 -1.303 . . . . 0.0 109.952 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 97.4 m-85 -55.06 -61.09 2.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.939 -1.101 . . . . 0.0 109.789 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.28 -133.45 2.21 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -110.97 136.4 50.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.026 -1.279 . . . . 0.0 109.448 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 34' ' ' SER . 40.2 mt -101.77 122.41 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.999 -1.063 . . . . 0.0 109.156 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.788 HD23 ' CD1' ' A' ' 92' ' ' ILE . 1.5 tp -68.97 -39.8 79.24 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.016 -1.053 . . . . 0.0 109.498 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -175.63 153.3 1.42 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.41 157.21 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.095 -1.003 . . . . 0.0 108.756 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -133.94 133.95 42.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.91 -1.119 . . . . 0.0 110.006 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 44' ' ' VAL . 18.6 m -142.91 122.55 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.024 . . . . 0.0 109.122 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.435 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 58.1 m -122.07 179.59 4.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -133.02 37.93 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.4 p -92.39 -173.26 3.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.96 -1.087 . . . . 0.0 109.206 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 0.9 OUTLIER -71.82 -50.94 25.25 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.901 -1.124 . . . . 0.0 109.875 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.66 -38.28 90.46 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.969 -1.082 . . . . 0.0 109.967 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 59.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -118.55 124.29 47.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.949 -1.095 . . . . 0.0 109.271 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.21 38.27 30.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 pt20 -160.99 161.6 31.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.97 -1.312 . . . . 0.0 110.168 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.19 35.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.996 -1.065 . . . . 0.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -110.95 144.86 39.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.401 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 33' ' ' PHE . 29.4 t -135.09 106.39 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.957 -1.089 . . . . 0.0 109.516 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.79 121.56 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 109.453 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 80.3 m-85 -95.45 142.85 27.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 0.0 109.231 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -50.61 -38.05 43.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.994 -1.066 . . . . 0.0 110.198 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 151.96 40.07 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.883 -1.136 . . . . 0.0 109.797 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.8 t -63.23 -37.58 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.072 -1.018 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 p -60.45 -31.79 70.77 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.011 -1.056 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.39 -35.16 79.48 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.679 -1.263 . . . . 0.0 110.522 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.771 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.95 -31.5 50.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.777 -1.202 . . . . 0.0 109.892 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.469 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 6.3 m -63.32 -39.78 95.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.846 -1.158 . . . . 0.0 109.598 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -73.49 -37.19 65.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.028 -1.045 . . . . 0.0 109.33 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.51 -17.75 64.79 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.86 -1.15 . . . . 0.0 110.64 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 83' ' ' ILE . 1.2 tp -87.89 -57.27 3.0 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.422 -1.423 . . . . 0.0 110.132 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -53.91 -40.42 66.67 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.942 -1.099 . . . . 0.0 110.147 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -71.84 -36.7 70.26 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.015 -1.053 . . . . 0.0 109.989 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.57 35.33 2.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.93 93.89 3.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.887 -1.133 . . . . 0.0 108.725 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.62 62.93 2.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -124.87 162.54 42.67 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.054 -1.262 . . . . 0.0 109.584 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.0 Cg_endo -77.55 135.65 14.85 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.833 1.689 . . . . 0.0 110.412 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.4 t80 -134.15 -59.99 0.82 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.144 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.573 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.1 m-85 -115.91 70.2 0.75 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.103 -0.998 . . . . 0.0 109.666 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 57.33 40.4 27.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.041 -1.037 . . . . 0.0 109.773 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.51 151.39 0.53 Allowed Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 120.935 -1.103 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.18 150.94 29.74 Favored 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.711 1.607 . . . . 0.0 109.848 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.78 139.12 17.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.956 -1.09 . . . . 0.0 110.296 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 141.59 35.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.207 -0.933 . . . . 0.0 108.873 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 68' ' ' LEU . 54.7 mt -105.0 138.9 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.032 -1.042 . . . . 0.0 109.894 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.03 135.25 48.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 108.615 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 22.3 m-85 -49.89 132.53 22.61 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.877 -1.14 . . . . 0.0 109.974 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.46 173.43 0.05 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.024 -1.047 . . . . 0.0 109.68 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HD2' " O2'" ' B' ' 43' ' ' ' C' . 29.5 mttm -89.46 -42.2 11.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.088 -1.007 . . . . 0.0 109.402 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -103.4 179.38 4.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.029 -1.045 . . . . 0.0 109.6 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -101.18 172.91 6.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.978 -1.077 . . . . 0.0 109.438 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' HA ' ' N3 ' ' B' ' 45' ' ' ' C' . 2.5 p -75.59 136.1 40.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.067 -1.021 . . . . 0.0 109.672 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.7 -28.3 36.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.09 -1.006 . . . . 0.0 110.285 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.788 ' CD1' HD23 ' A' ' 40' ' ' LEU . 1.2 pp -57.1 -25.34 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.578 -1.326 . . . . 0.0 109.64 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -71.19 -43.06 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.515 -1.365 . . . . 0.0 107.58 177.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.38 -34.52 48.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.191 -0.943 . . . . 0.0 110.227 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -75.88 -33.12 59.95 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.659 -1.275 . . . . 0.0 111.46 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.403 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.9 mmt -64.53 -37.41 87.45 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.193 -0.942 . . . . 0.0 109.725 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -50.81 -36.44 37.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.841 -1.162 . . . . 0.0 108.86 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 99' ' ' THR . . . 150.91 80.93 0.03 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.407 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.0 t 38.79 48.22 1.31 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.734 -0.863 . . . . 0.0 111.182 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.98 95.39 1.17 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.984 -1.073 . . . . 0.0 109.149 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.086 -1.009 . . . . 0.0 109.146 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.738 0 O4'-C1'-N19 110.925 2.725 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 O4'-C1'-N19 111.085 2.885 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.17 2.97 . 0.212 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 110.994 2.794 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.427 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.058 2.858 . 0.333 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.427 ' C2 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 O4'-C1'-N19 110.823 2.623 . 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.488 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 111.338 3.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.488 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.111 0 O4'-C1'-N19 111.592 3.392 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.022 2.822 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.307 0 O4'-C1'-N19 111.289 3.089 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.005 2.805 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C3'-C2'-C1' 104.125 2.916 . 0.469 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.472 ' N4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.036 0 C5'-C4'-C3' 111.553 -2.631 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.942 2.742 . 0.898 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.006 2.806 . 0.2 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.09 2.89 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.121 0 O4'-C1'-N19 111.162 2.962 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 O4'-C1'-N19 111.035 2.835 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.885 0 O4'-C1'-N19 111.003 2.803 . 0.453 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 O4'-C1'-N19 110.993 2.793 . 0.19 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.896 0 O4'-C1'-N19 110.839 2.639 . 0.012 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.44 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 110.817 2.617 . 0.069 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.809 0 O4'-C1'-N19 111.039 2.839 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.522 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C1'-N19 110.959 2.759 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.522 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 O4'-C1'-N19 110.992 2.792 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.095 0 O4'-C1'-N19 111.494 3.294 . 0.272 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 110.873 2.673 . 0.184 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.064 2.864 . 0.116 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O4'-C1'-N19 111.132 2.932 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 O4'-C1'-N19 110.806 2.606 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t -144.43 86.93 7.89 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.02 -1.05 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.58 111.74 3.2 Favored 'Trans proline' 0 C--N 1.323 -0.779 0 C-N-CA 121.82 1.68 . . . . 0.0 110.325 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.75 -37.49 22.58 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.036 -1.04 . . . . 0.0 109.98 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 5' ' ' THR . 12.8 m -137.25 39.61 2.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.911 -1.118 . . . . 0.0 109.796 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.85 93.65 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.973 -1.079 . . . . 0.0 109.504 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.15 131.65 12.06 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 110.302 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -99.63 -170.74 1.94 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.007 -1.058 . . . . 0.0 109.313 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.39 33.94 2.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.896 -1.128 . . . . 0.0 110.042 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' VAL . 85.2 m -167.98 127.03 1.25 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.89 -1.131 . . . . 0.0 109.965 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.638 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.8 pt -92.17 172.38 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.971 -1.081 . . . . 0.0 109.166 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 53' ' ' GLN . 27.2 t80 -131.76 143.71 50.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.984 -1.073 . . . . 0.0 110.051 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 29' ' ' LEU . 3.2 mt -124.79 146.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 108.915 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.87 -179.12 5.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.061 -1.024 . . . . 0.0 109.841 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m120 57.23 50.2 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 0.0 109.903 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 53' ' ' GLN . 38.6 mt -93.45 -177.74 4.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.937 -1.102 . . . . 0.0 109.251 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.8 150.25 22.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.754 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.29 38.69 2.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -115.36 -57.47 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.941 -1.099 . . . . 0.0 109.315 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.018 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.6 mp -55.52 155.98 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.188 -0.945 . . . . 0.0 108.735 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.53 -168.53 1.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.54 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -83.97 -35.18 24.14 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.903 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -68.92 -38.01 79.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 6.4 mm-40 -72.27 -43.57 64.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.112 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -50.7 -44.39 58.03 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.109 -0.995 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -41.88 98.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.978 -1.076 . . . . 0.0 109.639 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.448 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -74.74 -50.49 17.23 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.659 -1.276 . . . . 0.0 110.639 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 13' ' ' ILE . 55.4 mt -56.44 -25.88 52.0 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.956 -1.09 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -83.61 -31.93 26.0 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.558 -1.339 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.3 72.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.757 -1.214 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.685 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -85.68 -53.07 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.837 -1.165 . . . . 0.0 110.915 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 41.7 m-85 -67.96 -14.74 63.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.951 -1.093 . . . . 0.0 112.113 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 t -79.85 -34.71 39.08 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.286 -1.509 . . . . 0.0 110.751 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -49.36 -31.14 8.77 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 120.677 -1.265 . . . . 0.0 110.954 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -71.52 -56.88 5.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.649 -1.282 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.07 -123.37 1.1 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.77 141.76 50.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.996 -1.296 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.36 115.24 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.541 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 59' ' ' LYS . 95.7 mt -59.12 -42.36 90.39 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -176.74 159.04 1.75 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.37 122.36 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.023 -1.048 . . . . 0.0 109.137 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.18 130.02 44.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.971 -1.081 . . . . 0.0 109.784 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.91 160.71 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.021 -1.049 . . . . 0.0 108.624 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.0 m -127.51 114.88 18.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.915 -1.116 . . . . 0.0 109.764 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -97.93 -29.97 13.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.033 -1.042 . . . . 0.0 111.028 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -48.22 170.51 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.644 -1.285 . . . . 0.0 110.517 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 0.9 OUTLIER -75.88 -52.12 11.02 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.029 -1.044 . . . . 0.0 109.759 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -50.39 -37.19 36.2 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.958 -1.089 . . . . 0.0 110.16 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.6 mtp -113.42 57.35 0.68 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.979 -1.076 . . . . 0.0 109.052 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.2 ttt-85 -105.21 157.74 17.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.02 -1.05 . . . . 0.0 109.676 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.01 34.83 73.75 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' N ' HD12 ' A' ' 16' ' ' LEU . 18.1 pt20 -155.4 174.81 14.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.881 -1.364 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 171.86 11.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -131.57 130.31 42.09 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.004 -1.06 . . . . 0.0 108.932 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 10' ' ' THR . 25.7 t -113.34 141.54 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.88 -1.138 . . . . 0.0 109.653 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' ILE . 10.5 mt -119.55 125.63 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.041 -1.037 . . . . 0.0 109.263 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.38 150.51 23.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.066 . . . . 0.0 109.532 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' A' ' 40' ' ' LEU . 15.2 tttt -61.68 -42.66 99.24 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.019 -1.051 . . . . 0.0 108.98 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.13 145.29 38.86 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.158 -0.964 . . . . 0.0 109.195 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.58 -37.52 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.992 -1.068 . . . . 0.0 109.793 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -33.19 70.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.992 -1.068 . . . . 0.0 110.396 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 m -60.34 -39.92 88.82 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.669 -1.269 . . . . 0.0 109.796 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.95 -27.34 61.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.929 -1.107 . . . . 0.0 109.58 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.55 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -68.01 -32.61 73.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.874 -1.141 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.01 -39.04 43.39 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.716 -1.24 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.57 80.35 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.939 -1.101 . . . . 0.0 109.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -39.07 64.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.908 -1.12 . . . . 0.0 109.853 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HD2' HG22 ' A' ' 65' ' ' THR . 5.0 mtp180 -75.4 -8.55 56.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.929 -1.107 . . . . 0.0 111.465 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t -120.16 17.47 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.314 -1.491 . . . . 0.0 110.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.73 40.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.506 -1.371 . . . . 0.0 109.578 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.46 117.69 20.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.093 -1.005 . . . . 0.0 109.183 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.82 60.1 9.54 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -118.7 155.97 52.0 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.183 -1.186 . . . . 0.0 109.522 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.55 130.8 11.03 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.837 1.691 . . . . 0.0 110.147 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' HD11 ' A' ' 32' ' ' ILE . 16.3 t80 -125.83 -63.51 1.12 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.034 -1.041 . . . . 0.0 109.061 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 1.018 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.3 m-85 -115.6 67.23 0.7 Allowed 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.129 -0.982 . . . . 0.0 109.436 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 59.28 40.96 20.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.549 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -176.45 155.9 1.43 Allowed Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.005 -1.06 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -77.88 142.85 20.3 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.827 1.685 . . . . 0.0 110.043 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.6 141.89 27.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 110.097 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -107.54 147.04 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.042 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.14 138.4 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.091 -1.006 . . . . 0.0 110.006 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 140.18 35.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 108.73 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 15.6 m-85 -52.26 169.47 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.742 -1.224 . . . . 0.0 109.538 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.55 177.56 6.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.041 -1.037 . . . . 0.0 109.317 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -89.42 -45.85 9.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.03 -1.044 . . . . 0.0 109.4 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 p -103.9 179.27 4.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.273 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.6 m-20 -89.45 171.78 9.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.082 . . . . 0.0 109.343 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -76.35 144.7 39.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.024 -1.048 . . . . 0.0 109.235 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.47 -30.29 30.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 110.312 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 57' ' ' ILE . 1.4 pp -56.6 -26.48 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.557 -1.34 . . . . 0.0 109.418 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -68.79 -45.76 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.25 -34.65 47.02 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.34 -0.85 . . . . 0.0 110.211 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' HG2' HG22 ' A' ' 101' ' ' VAL . 29.8 mttt -65.4 -41.82 93.24 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.821 -1.174 . . . . 0.0 110.515 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.445 ' HE3' ' N ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -65.89 -30.84 71.51 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.486 -0.759 . . . . 0.0 110.706 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -51.78 -38.95 57.67 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.4 -63.91 0.04 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 175.67 51.71 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.167 -1.196 . . . . 0.0 110.02 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.35 80.28 7.53 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.959 -1.088 . . . . 0.0 108.866 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.617 HG22 ' HG2' ' A' ' 95' ' ' LYS . 81.4 t . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.33 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 O4'-C1'-N19 110.954 2.754 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 O4'-C1'-N19 111.102 2.902 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.991 2.791 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.879 0 O4'-C1'-N19 111.206 3.006 . 0.448 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C3'-C2'-C1' 104.466 3.295 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.504 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.6 3.4 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.531 ' C4 ' ' N4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.225 0 O4'-C1'-N19 111.167 2.967 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.535 ' H42' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 110.974 2.774 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.493 ' N3 ' ' C2 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 110.837 2.637 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C3'-C2'-C1' 104.516 3.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . 0.437 ' OP2' ' N4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C3'-C2'-C1' 104.293 3.103 . 0.016 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.538 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C5'-C4'-C3' 111.52 -2.653 . 0.263 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.546 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C3'-C2'-C1' 104.157 2.952 . 0.447 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.546 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.044 2.844 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.494 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.951 0 O4'-C1'-N19 110.995 2.795 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.535 ' N6 ' ' H42' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 111.0 2.8 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . 0.537 ' N4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.124 2.924 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.537 ' C6 ' ' N4 ' ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 O4'-C1'-N19 111.047 2.847 . 0.516 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 111.013 2.813 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.963 0 O4'-C1'-N19 110.87 2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.444 ' N1 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 C5'-C4'-C3' 111.52 -2.653 . 0.183 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.46 " O2'" ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.432 -1.712 0 O4'-C1'-N19 111.019 2.819 . 0.257 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.526 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.834 0 O4'-C1'-N19 110.965 2.765 . 0.165 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.526 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-C3' 111.6 -2.6 . 0.296 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.055 2.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.035 0 O4'-C1'-N19 111.449 3.249 . 0.583 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.926 2.726 . 0.129 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.351 3.151 . 0.324 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 110.912 2.712 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.0 t -141.96 85.19 11.25 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 120.965 -1.084 . . . . 0.0 109.508 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.06 86.79 1.6 Allowed 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.838 1.692 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.45 155.31 36.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.019 -1.051 . . . . 0.0 109.437 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.75 82.85 2.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 109.532 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.78 158.62 74.35 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.441 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -77.82 148.56 25.48 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.736 1.624 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -134.06 -69.83 0.53 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.836 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER 171.51 -45.57 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.9 m -103.23 129.5 50.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.538 -0.726 . . . . 0.0 109.553 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' A' ' 64' ' ' ALA . 8.0 pt -89.81 164.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.132 -0.98 . . . . 0.0 108.992 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 68.1 t80 -138.02 117.41 12.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.62 HD11 ' CE2' ' A' ' 33' ' ' PHE . 5.5 mt -91.31 155.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.027 -1.046 . . . . 0.0 109.424 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -142.6 175.71 9.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.97 -1.081 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 58.91 55.83 4.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 0.0 109.377 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.62 -174.21 2.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.074 -1.016 . . . . 0.0 109.305 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -91.71 152.38 20.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.004 -1.06 . . . . 0.0 108.942 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.45 39.25 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.0 110.072 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -148.57 33.88 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.985 -1.072 . . . . 0.0 110.223 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.862 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.9 mm -103.36 153.84 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.882 -1.136 . . . . 0.0 109.79 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -86.83 -176.16 5.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 108.653 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -87.64 -39.74 14.78 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.904 -1.123 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.67 -29.16 58.97 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 43.2 mm-40 -72.15 -47.53 50.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.127 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.824 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.6 tp -66.05 -33.06 74.93 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.883 -1.136 . . . . 0.0 110.481 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.83 -23.75 58.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.81 -1.181 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -78.76 -32.97 46.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.506 -1.371 . . . . 0.0 109.955 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 50.4 m -76.7 -38.24 54.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.754 -1.216 . . . . 0.0 110.227 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 32' ' ' ILE . 10.5 mt -70.98 -41.07 71.48 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.907 -1.121 . . . . 0.0 109.717 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.79 -32.11 65.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.1 -1.0 . . . . 0.0 110.246 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.03 -69.22 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.892 -1.13 . . . . 0.0 110.173 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -45.1 -61.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 112.353 -178.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 56' ' ' VAL . 32.4 m-85 -61.64 -32.27 72.42 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.706 -1.246 . . . . 0.0 111.136 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.7 t -60.78 -33.36 72.85 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.616 -1.302 . . . . 0.0 110.592 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -48.02 -36.96 13.75 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.729 -1.232 . . . . 0.0 110.932 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.08 71.22 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.946 -1.096 . . . . 0.0 110.194 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.67 -151.83 19.03 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -123.23 149.07 45.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.086 -1.243 . . . . 0.0 109.399 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 34' ' ' SER . 30.0 mt -99.56 130.56 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.08 -1.012 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.68 -41.44 23.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.001 -1.062 . . . . 0.0 109.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -166.52 157.44 12.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.095 -1.003 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.24 121.81 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 0.0 109.034 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.85 130.69 48.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.054 -1.029 . . . . 0.0 109.991 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.89 136.53 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.131 -0.98 . . . . 0.0 108.881 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.506 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 22.7 t -133.47 159.97 38.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.961 -1.087 . . . . 0.0 109.973 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -129.76 38.35 3.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.004 . . . . 0.0 109.623 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -89.17 166.52 13.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.928 -1.107 . . . . 0.0 108.83 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 1.9 tt -56.68 -40.83 76.25 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.879 -1.138 . . . . 0.0 109.663 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -72.84 -39.9 66.16 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.06 -1.025 . . . . 0.0 109.66 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.93 56.64 1.72 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.96 -1.088 . . . . 0.0 109.394 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' ' N1 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -109.68 129.29 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.97 -1.081 . . . . 0.0 109.459 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.94 41.11 41.98 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 pt20 -162.11 153.47 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.03 -1.276 . . . . 0.0 110.028 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.2 170.43 15.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.001 -1.062 . . . . 0.0 109.801 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 89.6 m-85 -130.08 134.9 47.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.089 -1.007 . . . . 0.0 109.19 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.676 HG21 ' CE2' ' A' ' 33' ' ' PHE . 61.8 t -130.26 148.34 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.965 -1.085 . . . . 0.0 109.525 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.875 HD13 ' CD1' ' A' ' 92' ' ' ILE . 9.8 mt -125.48 146.95 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.105 -0.997 . . . . 0.0 108.907 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 59.0 m-85 -119.88 154.36 34.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.996 -1.065 . . . . 0.0 109.522 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -53.11 -40.64 64.32 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.007 -1.058 . . . . 0.0 109.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.44 177.03 6.41 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.134 -0.979 . . . . 0.0 109.492 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' ND1' ' A' ' 9' ' ' HIS . 41.1 t -79.84 -37.51 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.044 -1.035 . . . . 0.0 109.817 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.3 p -59.64 -35.9 75.32 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.971 -1.081 . . . . 0.0 110.285 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.448 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 3.5 m -59.39 -37.99 79.37 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.85 -1.156 . . . . 0.0 110.199 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.12 -28.91 61.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.881 -1.137 . . . . 0.0 109.524 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.534 HG23 ' OH ' ' A' ' 85' ' ' TYR . 5.4 m -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.916 -1.115 . . . . 0.0 109.388 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.66 -42.49 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.982 -1.074 . . . . 0.0 108.862 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.28 46.25 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.086 -1.008 . . . . 0.0 110.203 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.854 HD12 HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -79.47 -37.72 36.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.74 -1.225 . . . . 0.0 109.801 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -94.57 56.2 2.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.863 -1.148 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 m -154.11 -58.38 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.138 -0.977 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 80.6 mtp -106.38 37.58 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.074 -1.016 . . . . 0.0 109.458 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.75 98.95 0.06 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.94 -1.1 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.17 62.67 1.79 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.4 m-85 -112.44 163.56 17.51 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.205 -1.174 . . . . 0.0 109.893 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.66 124.45 6.32 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.916 1.744 . . . . 0.0 110.766 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -137.85 109.84 7.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.993 -1.067 . . . . 0.0 108.77 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.862 ' CD2' HD12 ' A' ' 20' ' ' ILE . 71.4 m-85 72.81 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 117.859 0.299 . . . . 0.0 110.419 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -154.9 47.59 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.572 -1.33 . . . . 0.0 110.355 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 179.84 153.44 0.62 Allowed Pre-proline 0 N--CA 1.5 2.055 0 O-C-N 120.98 -1.075 . . . . 0.0 110.2 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.03 146.75 25.98 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.728 1.618 . . . . 0.0 109.986 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -139.33 127.61 22.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.908 -1.12 . . . . 0.0 110.269 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -94.99 153.87 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.854 HG22 HD12 ' A' ' 68' ' ' LEU . 57.9 mt -110.91 135.48 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.019 . . . . 0.0 110.84 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.466 ' CA ' HD11 ' A' ' 68' ' ' LEU . 23.2 pt20 -145.08 136.33 25.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' OH ' HG23 ' A' ' 65' ' ' THR . 14.7 m-85 -46.83 167.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.962 -1.087 . . . . 0.0 110.928 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.56 -169.71 2.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.159 -0.963 . . . . 0.0 109.424 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 9.1 mmtp -90.89 -46.7 8.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.968 -1.083 . . . . 0.0 109.061 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -124.97 -179.39 4.53 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.46 -176.01 4.03 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.481 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 13.7 t -99.35 153.55 18.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.939 -1.101 . . . . 0.0 109.679 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -76.14 -28.63 57.48 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.038 -1.039 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' A' ' 57' ' ' ILE . 33.6 pt -60.26 -23.45 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.649 -1.282 . . . . 0.0 109.48 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.797 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER -74.84 -39.16 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.597 -1.314 . . . . 0.0 107.789 178.275 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.41 58.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -77.81 -30.8 51.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.749 -1.219 . . . . 0.0 111.472 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.43 ' HE3' ' N ' ' A' ' 96' ' ' MET . 29.4 mmt -66.35 -28.03 68.34 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.067 -1.021 . . . . 0.0 110.341 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.44 -34.72 7.57 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.775 -1.203 . . . . 0.0 109.09 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.69 -49.7 0.21 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.7 t 179.13 59.16 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.16 -1.2 . . . . 0.0 110.151 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -57.39 98.79 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.932 -1.105 . . . . 0.0 109.35 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 99' ' ' THR . 88.3 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 121.073 -1.017 . . . . 0.0 109.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-C3' 111.509 -2.661 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.919 0 O4'-C1'-N19 110.963 2.763 . 0.096 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.52 ' N3 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 O4'-C1'-N19 111.134 2.934 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.52 ' C6 ' ' N3 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 110.965 2.765 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.514 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.208 3.008 . 0.297 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.514 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 110.861 2.661 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 O4'-C1'-N19 111.75 3.55 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.211 0 O4'-C1'-N19 111.7 3.5 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 110.964 2.764 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.791 2.591 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.441 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 O4'-C1'-N19 111.207 3.007 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 C3'-C2'-C1' 104.172 2.968 . 0.298 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.441 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.04 0 C5'-C4'-C3' 111.684 -2.544 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 110.915 2.715 . 0.899 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.113 0 O4'-C1'-N19 111.1 2.9 . 0.64 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.524 ' C6 ' ' C6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.115 2.915 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.524 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 O4'-C1'-N19 111.079 2.879 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 110.969 2.769 . 0.377 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.526 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.886 0 O4'-C1'-N19 110.979 2.779 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.526 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 O4'-C1'-N19 111.276 3.076 . 0.388 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.787 0 O4'-C1'-N19 110.829 2.629 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.447 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.075 0 O4'-C1'-N19 110.851 2.651 . 0.047 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.449 ' H41' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 O4'--C1' 1.435 1.79 0 C5'-C4'-C3' 111.574 -2.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.537 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 111.5 -2.667 . 0.264 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.537 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 O4'-C1'-N19 111.198 2.998 . 0.275 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.175 2.975 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.288 0 O4'-C1'-N19 110.783 2.583 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 111.087 2.887 . 0.238 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 O4'-C1'-N19 111.078 2.878 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 110.823 2.623 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -115.5 85.91 14.27 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.065 -1.022 . . . . 0.0 109.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -77.89 124.84 7.0 Favored 'Trans proline' 0 C--N 1.324 -0.761 0 C-N-CA 121.87 1.713 . . . . 0.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -58.23 -179.18 0.05 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.964 -1.085 . . . . 0.0 109.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 115.8 15.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 109.413 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.36 136.37 24.4 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.986 -1.071 . . . . 0.0 108.856 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.63 152.57 29.57 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 121.49 1.46 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -135.97 -66.71 0.54 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.174 -0.954 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.44 -45.03 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.291 -0.881 . . . . 0.0 108.674 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -106.17 157.74 17.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.444 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' HB1' ' A' ' 64' ' ' ALA . 31.8 pt -116.15 163.68 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 83' ' ' ILE . 93.6 t80 -122.74 120.05 32.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.136 -0.977 . . . . 0.0 110.554 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.598 ' CG2' HD11 ' A' ' 16' ' ' LEU . 5.9 mt -96.66 137.33 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.037 -1.039 . . . . 0.0 108.498 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -133.44 160.89 36.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 109.648 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.15 49.42 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.141 . . . . 0.0 109.311 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.701 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.2 mp -85.07 -174.98 5.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.178 -0.951 . . . . 0.0 108.982 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 157.84 20.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.88 40.55 1.36 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -154.3 40.72 0.48 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.425 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 77' ' ' TYR . 4.2 mt -102.02 154.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 108.875 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -115.72 31.17 6.88 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.097 -1.041 . . . . 0.0 112.471 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.75 -73.28 0.07 Allowed 'General case' 0 N--CA 1.511 2.615 0 O-C-N 121.422 -0.799 . . . . 0.0 112.07 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.27 -27.48 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.624 -1.298 . . . . 0.0 109.364 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 5.1 tt0 -71.14 -41.93 69.82 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.31 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD21 ' CD2' ' A' ' 16' ' ' LEU . 4.9 tp -69.24 -20.71 63.95 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.027 -1.046 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -86.25 -28.9 23.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.531 -1.356 . . . . 0.0 110.101 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -77.57 -29.7 52.27 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.005 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 54.8 m -87.59 -37.51 16.76 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.794 -1.191 . . . . 0.0 110.221 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 25' ' ' LEU . 86.4 mt -71.96 -53.77 12.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.857 -1.152 . . . . 0.0 109.488 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -53.35 -27.86 25.75 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.213 -0.929 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.19 -69.89 0.54 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.681 -1.262 . . . . 0.0 110.172 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.92 -60.07 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.031 -1.043 . . . . 0.0 112.017 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 32' ' ' ILE . 87.8 m-85 -59.28 -36.91 76.41 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.786 -1.196 . . . . 0.0 110.601 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -54.42 -37.92 65.67 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.783 -1.198 . . . . 0.0 110.449 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -51.19 -45.91 61.96 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.74 -1.225 . . . . 0.0 110.341 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 98.6 m-85 -57.28 -59.67 4.78 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.077 -1.015 . . . . 0.0 109.797 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 -126.95 1.63 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.68 138.01 54.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.298 . . . . 0.0 109.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -101.35 126.11 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 0.0 109.23 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HB2' ' A' ' 59' ' ' LYS . 3.0 tp -78.08 -40.48 38.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.038 -1.038 . . . . 0.0 109.509 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.73 141.86 0.87 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.082 -1.012 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 56' ' ' VAL . 41.6 mt -113.64 128.67 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -100.41 127.58 46.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.067 -1.021 . . . . 0.0 109.637 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.94 134.14 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.457 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 0.3 OUTLIER -128.7 163.42 25.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.834 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -135.92 40.03 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 109.557 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 p -91.53 162.05 14.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 109.379 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.94 -38.88 73.54 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.988 -1.07 . . . . 0.0 110.005 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -75.86 -37.47 58.9 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.889 -1.132 . . . . 0.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtp -104.41 60.47 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.908 -1.12 . . . . 0.0 109.323 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 8.1 mtt-85 -109.83 139.79 44.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.038 -1.039 . . . . 0.0 109.567 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.78 37.58 84.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -166.03 142.38 5.08 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.939 -1.33 . . . . 0.0 110.07 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.57 -171.23 3.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.977 -1.077 . . . . 0.0 109.887 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 27.8 m-85 -140.42 142.37 35.44 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 42' ' ' ILE . 17.3 t -125.65 109.21 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.944 -1.098 . . . . 0.0 109.404 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 92' ' ' ILE . 23.4 mt -89.99 133.99 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.963 -1.086 . . . . 0.0 109.556 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.02 137.57 51.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.154 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 40' ' ' LEU . 2.3 ttpm? -49.49 -38.25 29.39 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.079 -1.013 . . . . 0.0 109.915 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -112.8 153.46 27.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.005 -1.059 . . . . 0.0 109.359 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.39 -37.28 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.954 -1.091 . . . . 0.0 109.761 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 p -60.57 -29.87 69.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.985 -1.072 . . . . 0.0 110.492 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -35.03 79.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.692 -1.255 . . . . 0.0 110.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -76.59 -30.14 56.85 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.739 -1.225 . . . . 0.0 109.677 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.51 HG23 ' OH ' ' A' ' 85' ' ' TYR . 39.5 m -70.23 -31.24 68.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -78.76 -38.68 38.03 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.788 -1.195 . . . . 0.0 109.37 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 36' ' ' PHE . . . -65.36 -29.11 69.8 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.935 -1.103 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -82.91 -35.63 25.94 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.691 -1.255 . . . . 0.0 110.555 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -65.69 -36.87 84.86 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.866 -1.146 . . . . 0.0 110.465 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -85.29 -29.59 24.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.966 -1.084 . . . . 0.0 110.776 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.57 36.58 2.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.727 -1.233 . . . . 0.0 109.928 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.02 93.62 5.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.95 -1.094 . . . . 0.0 109.104 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.11 61.13 2.05 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -127.14 161.7 52.51 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.065 -1.256 . . . . 0.0 109.404 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.1 139.32 16.96 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.844 1.696 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 43.9 t80 -135.03 -60.89 0.76 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.007 -1.058 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.0 m-85 -113.51 66.61 0.66 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.08 -1.013 . . . . 0.0 109.82 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.9 42.21 13.3 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.997 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.42 154.79 0.53 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.882 -1.136 . . . . 0.0 110.217 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.78 148.45 25.48 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 121.932 1.755 . . . . 0.0 109.993 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -155.03 138.87 16.24 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.947 -1.096 . . . . 0.0 110.374 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -108.75 147.62 31.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.083 -1.01 . . . . 0.0 108.889 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG22 HD11 ' A' ' 68' ' ' LEU . 32.6 mt -116.32 146.3 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.044 . . . . 0.0 110.37 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.449 ' NE2' ' H41' ' B' ' 43' ' ' ' C' . 22.3 pt20 -142.23 139.54 32.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 108.606 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' OH ' HG23 ' A' ' 65' ' ' THR . 22.0 m-85 -45.92 138.94 4.61 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.058 -1.026 . . . . 0.0 110.792 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.57 -171.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 12.0 mmtp -81.78 -49.64 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.954 -1.092 . . . . 0.0 109.616 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 p -119.56 179.62 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.974 -1.079 . . . . 0.0 109.833 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 18.4 m-20 -73.04 -173.03 1.16 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.083 -1.01 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 4.8 t -95.82 157.48 15.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.23 -31.03 17.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.09 -1.006 . . . . 0.0 110.35 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 pt -57.52 -28.55 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.659 -1.276 . . . . 0.0 110.624 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.9 mp -80.77 -30.84 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.304 0 O-C-N 120.455 -1.403 . . . . 0.0 109.307 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.04 -30.83 11.58 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.61 -1.306 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -92.11 -26.8 18.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.689 -1.257 . . . . 0.0 111.8 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.407 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.9 mmt -66.6 -29.01 68.97 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.96 -1.088 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -48.25 -34.62 10.6 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.751 -1.218 . . . . 0.0 108.91 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.26 -52.48 0.2 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 t 178.97 50.12 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.069 -1.254 . . . . 0.0 110.191 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.2 t80 44.8 75.8 0.1 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.1 -1.0 . . . . 0.0 111.089 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.5 2.052 0 O-C-N 121.0 -1.062 . . . . 0.0 110.158 -179.729 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 O4'-C1'-N19 110.93 2.73 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.051 2.851 . 0.365 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O4'-C1'-N19 111.005 2.805 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 O4'-C1'-N19 110.918 2.718 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.102 0 O4'-C1'-N19 111.047 2.847 . 0.145 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.461 ' H62' ' HB2' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C5'-C4'-C3' 111.642 -2.572 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.532 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 104.58 3.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.532 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.697 3.497 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.424 ' C4 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 110.944 2.744 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.426 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.858 2.658 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.443 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.065 2.865 . 0.048 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C3'-C2'-C1' 104.196 2.996 . 0.434 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.443 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.095 0 C5'-C4'-C3' 111.613 -2.591 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.896 2.696 . 0.891 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 O4'-C1'-N19 110.999 2.799 . 0.551 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.416 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 O4'-C1'-N19 111.053 2.853 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.416 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 O4'-C1'-N19 111.078 2.878 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . 0.441 ' N3 ' ' O6 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.042 2.842 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.471 ' H61' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 O4'-C1'-N19 110.977 2.777 . 0.124 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.116 0 O4'-C1'-N19 111.45 3.25 . 0.444 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.84 0 O4'-C1'-N19 110.991 2.791 . 0.041 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.438 ' C4 ' ' O ' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 110.924 2.724 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.43 ' N3 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.943 0 O4'-C1'-N19 110.815 2.615 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C2 ' ' C2 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.746 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C2 ' ' C2 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C1'-N19 110.989 2.789 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.272 3.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 111.346 3.146 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.044 2.844 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.112 0 O4'-C1'-N19 111.212 3.012 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 110.835 2.635 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.6 p -148.64 63.54 7.12 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.094 -1.004 . . . . 0.0 109.559 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.87 -171.14 1.11 Allowed 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.852 1.701 . . . . 0.0 110.408 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -56.23 174.24 0.14 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.983 -1.073 . . . . 0.0 109.542 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -101.19 103.88 14.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.021 -1.05 . . . . 0.0 109.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -57.64 157.68 13.61 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.99 -1.069 . . . . 0.0 109.365 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.5 Cg_endo -77.37 119.41 4.93 Favored 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.792 1.661 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.768 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.1 m-80 -100.67 -175.84 3.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.025 . . . . 0.0 109.547 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.43 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t60 -90.99 -39.39 12.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.065 -1.022 . . . . 0.0 109.629 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 56' ' ' VAL . 82.5 m -104.85 140.35 38.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.928 -1.107 . . . . 0.0 109.718 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.3 pt -97.24 168.23 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.992 . . . . 0.0 109.084 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 30.8 t80 -142.15 122.93 14.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.106 -0.996 . . . . 0.0 109.084 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.683 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.8 mt -96.2 153.19 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.011 -1.056 . . . . 0.0 109.242 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -142.1 173.12 11.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.982 -1.074 . . . . 0.0 109.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.38 53.22 5.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.991 -1.068 . . . . 0.0 109.222 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 13' ' ' ILE . 49.1 mt -94.27 -174.58 3.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.996 -1.065 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.654 ' HB3' HD11 ' A' ' 20' ' ' ILE . 4.1 t30 -85.82 149.54 25.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.989 -1.069 . . . . 0.0 109.419 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -102.35 38.43 1.69 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.065 -1.022 . . . . 0.0 109.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -151.74 36.56 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.934 -1.104 . . . . 0.0 109.988 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.917 HD12 ' CD2' ' A' ' 77' ' ' TYR . 6.7 mm -103.52 158.92 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.042 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -83.5 179.99 7.5 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -83.29 -41.91 17.75 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 108.899 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.96 -16.38 60.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.137 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.666 ' HB3' HG22 ' A' ' 20' ' ' ILE . 3.6 tp10 -81.7 -43.19 18.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.665 -1.272 . . . . 0.0 110.219 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 29' ' ' LEU . 6.1 mt -69.59 -38.21 77.23 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 118.602 -1.239 . . . . 0.0 109.876 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.13 -29.96 63.26 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.895 -1.128 . . . . 0.0 110.568 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -75.62 -26.81 58.12 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.691 -1.256 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -36.2 24.14 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.5 mt -70.66 -41.61 71.88 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.839 -1.163 . . . . 0.0 109.241 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -65.17 -28.25 69.27 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.065 -1.022 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.6 -69.78 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.635 -1.29 . . . . 0.0 109.655 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -59.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.985 -1.072 . . . . 0.0 111.712 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -58.7 -32.85 69.54 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.693 -1.254 . . . . 0.0 111.263 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -63.18 -34.69 78.18 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.657 -1.277 . . . . 0.0 111.151 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -49.96 -30.46 10.45 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.627 -1.295 . . . . 0.0 111.07 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 67' ' ' ALA . 38.2 m-85 -81.05 -51.8 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.735 -1.228 . . . . 0.0 109.381 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 -175.7 26.06 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.89 143.81 39.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.069 -1.254 . . . . 0.0 109.491 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.6 mt -104.47 117.18 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 109.274 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' LYS . 7.0 mp -58.52 -42.88 88.73 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.036 -1.04 . . . . 0.0 109.587 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.51 163.39 5.43 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.108 -0.995 . . . . 0.0 110.525 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.4 mt -139.4 139.05 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.195 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.501 HD22 " H1'" ' B' ' 45' ' ' ' C' . 3.8 mp -124.87 145.95 49.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.932 -1.105 . . . . 0.0 109.694 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.7 m -126.45 129.77 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.115 -0.991 . . . . 0.0 109.367 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.443 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 51.3 m -100.64 164.46 11.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.997 -1.064 . . . . 0.0 109.697 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HB2' ' H62' ' B' ' 24' ' ' ' A' . 1.8 mmm-85 -150.03 37.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 110.107 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 p -92.5 170.22 9.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.95 -1.094 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 7.1 tt -56.86 -49.34 75.79 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.864 -1.148 . . . . 0.0 109.605 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' O ' ' C4 ' ' B' ' 42' ' ' ' G' . 4.2 mmtm -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.063 -1.023 . . . . 0.0 109.868 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 mtp -108.93 65.5 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.868 -1.145 . . . . 0.0 109.703 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' NH2' ' H61' ' B' ' 39' ' ' ' A' . 6.9 mtt-85 -99.14 49.86 0.95 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.119 . . . . 0.0 109.669 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.22 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 16' ' ' LEU . 3.4 pt20 -157.51 175.77 13.52 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.008 -1.289 . . . . 0.0 110.084 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.96 20.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.9 -1.125 . . . . 0.0 110.451 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 48.9 m-85 -132.92 133.3 43.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 109.23 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 10' ' ' THR . 41.0 t -124.04 139.18 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.007 -1.058 . . . . 0.0 109.685 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 92' ' ' ILE . 42.1 mt -114.68 119.68 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.963 -1.086 . . . . 0.0 109.061 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 5.2 m-85 -96.15 155.65 16.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.965 -1.084 . . . . 0.0 109.529 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HA ' HD13 ' A' ' 40' ' ' LEU . 33.7 tttt -54.79 -38.95 67.91 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.981 -1.074 . . . . 0.0 109.909 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -133.91 164.12 28.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.968 -1.082 . . . . 0.0 109.854 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' ASN . 57.7 t -63.95 -36.36 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.112 -0.993 . . . . 0.0 109.843 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 p -61.95 -38.4 88.36 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.021 -1.049 . . . . 0.0 109.817 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.5 m -58.12 -33.61 69.32 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -77.93 -30.26 50.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.792 -1.192 . . . . 0.0 109.904 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.585 HG23 ' OH ' ' A' ' 85' ' ' TYR . 3.0 m -62.1 -44.6 96.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.899 -1.126 . . . . 0.0 109.614 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -42.14 72.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.985 -1.072 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -56.83 -25.97 57.27 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.999 -1.063 . . . . 0.0 110.802 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.552 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.52 -31.42 17.64 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.553 -1.342 . . . . 0.0 111.108 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -67.73 -57.53 6.19 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.716 -1.24 . . . . 0.0 109.623 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 59.8 p -64.55 -30.43 71.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.152 -0.968 . . . . 0.0 110.647 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 mtp -100.62 32.84 2.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.643 -1.285 . . . . 0.0 110.563 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -77.09 102.23 6.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.844 -1.16 . . . . 0.0 108.269 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.75 71.17 1.08 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -116.65 172.51 3.79 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.081 -1.246 . . . . 0.0 110.014 -179.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.2 Cg_endo -78.38 144.23 20.22 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 121.957 1.771 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -157.58 101.54 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.441 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.917 ' CD2' HD12 ' A' ' 20' ' ' ILE . 84.1 m-85 60.17 51.21 5.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.933 . . . . 0.0 109.933 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 t70 55.3 63.73 2.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.0 110.247 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -178.84 137.69 0.34 Allowed Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 120.907 -1.121 . . . . 0.0 110.243 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.99 132.84 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 C-N-CA 121.539 1.493 . . . . 0.0 109.947 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -139.52 132.38 29.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.994 -1.066 . . . . 0.0 110.151 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 -96.69 151.4 19.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 0.0 108.61 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 HD11 ' A' ' 68' ' ' LEU . 68.8 mt -109.6 136.1 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.035 . . . . 0.0 110.379 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -130.71 140.18 50.33 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.585 ' OH ' HG23 ' A' ' 65' ' ' THR . 10.4 m-85 -50.61 173.99 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.828 -1.17 . . . . 0.0 110.095 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 179.24 5.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.643 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HG3' ' N3 ' ' B' ' 43' ' ' ' C' . 48.2 mttm -87.19 -38.7 16.15 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.072 -1.017 . . . . 0.0 109.685 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.6 p -136.73 179.72 6.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.904 -1.123 . . . . 0.0 110.035 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.53 179.96 2.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.166 -0.959 . . . . 0.0 109.432 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.466 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.3 OUTLIER -90.23 171.38 9.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.025 -1.047 . . . . 0.0 109.554 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.54 -29.96 25.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.074 -1.016 . . . . 0.0 110.205 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.806 HD11 HG21 ' A' ' 57' ' ' ILE . 32.9 pt -63.8 -21.84 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.703 -1.248 . . . . 0.0 109.153 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.779 HD13 HG13 ' A' ' 92' ' ' ILE . 0.7 OUTLIER -75.56 -34.61 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 120.571 -1.331 . . . . 0.0 108.103 178.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.82 63.49 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.076 -1.015 . . . . 0.0 110.431 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -89.22 -17.67 28.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.54 -1.35 . . . . 0.0 112.567 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 92' ' ' ILE . 31.9 mmt -67.07 -26.81 66.92 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.835 -1.166 . . . . 0.0 110.496 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -47.82 -34.4 8.62 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 120.672 -1.268 . . . . 0.0 109.048 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.53 -51.37 0.21 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.5 t -177.9 48.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.089 -1.242 . . . . 0.0 110.292 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 42.73 56.84 3.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.196 -0.94 . . . . 0.0 111.216 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 101' ' ' VAL . 11.5 p . . . . . 0 N--CA 1.499 2.013 0 O-C-N 120.978 -1.076 . . . . 0.0 110.303 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C3'-C2'-C1' 104.187 2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.936 0 O4'-C1'-N19 111.018 2.818 . 0.015 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O4'-C1'-N19 110.981 2.781 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.537 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 110.947 2.747 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.481 ' C6 ' ' C5 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.18 2.98 . 0.374 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.491 ' H62' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C3'-C2'-C1' 104.668 3.52 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.803 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 104.34 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.214 0 O4'-C1'-N19 111.066 2.866 . 0.141 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.475 3.275 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.019 2.819 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.445 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C3'-C2'-C1' 104.507 3.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C3'-C2'-C1' 104.22 3.022 . 0.034 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.552 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.963 0 C5'-C4'-C3' 111.606 -2.596 . 0.441 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.552 ' N2 ' ' N1 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C3'-C2'-C1' 104.056 2.84 . 0.427 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.547 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.25 0 O4'-C1'-N19 111.088 2.888 . 0.219 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.409 ' N1 ' ' C5 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.212 3.012 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.409 ' C5 ' ' N1 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C3'-C2'-C1' 104.203 3.003 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O4'-C1'-N19 110.909 2.709 . 0.228 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.545 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C5'-C4'-C3' 111.565 -2.623 . 0.303 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.545 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 111.441 3.241 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C3'-C2'-C1' 104.098 2.887 OUTLIER-EPSILON 0.06 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.439 ' C4 ' ' O ' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.43 -1.91 0 O4'-C1'-N19 110.915 2.715 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.469 ' H41' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 O4'--C1' 1.437 1.878 0 O4'-C1'-N19 110.838 2.638 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.543 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.612 1.888 0 O4'-C1'-N19 111.046 2.846 . 0.019 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.543 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.586 -2.609 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.378 3.178 . 0.243 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 110.95 2.75 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.537 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.193 2.993 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.037 2.837 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C5'-C4'-C3' 111.74 -2.507 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.7 156.04 80.52 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.036 -1.04 . . . . 0.0 109.523 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.23 178.75 7.2 Favored 'Trans proline' 0 C--N 1.322 -0.823 0 C-N-CA 121.787 1.658 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -57.87 -178.2 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.012 -1.055 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 5' ' ' THR . 5.4 t -56.05 103.5 0.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -94.55 139.88 22.47 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 120.954 -1.092 . . . . 0.0 109.19 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.14 110.63 3.05 Favored 'Trans proline' 0 C--N 1.326 -0.634 0 C-N-CA 121.456 1.437 . . . . 0.0 110.169 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.4 m120 -91.31 -176.98 4.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.128 -0.982 . . . . 0.0 109.5 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -38.09 54.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 109.621 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 HG13 ' A' ' 57' ' ' ILE . 87.1 m -103.32 156.28 17.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.931 -1.106 . . . . 0.0 110.102 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.441 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -119.72 146.91 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.0 108.856 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 53' ' ' GLN . 24.3 t80 -121.66 119.91 33.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.216 -0.928 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.4 mt -100.4 150.02 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 109.08 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -129.43 174.23 9.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.074 . . . . 0.0 109.69 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.4 t30 59.29 56.56 3.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.067 -1.021 . . . . 0.0 109.333 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 53' ' ' GLN . 7.7 mp -101.32 43.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.965 -1.084 . . . . 0.0 109.742 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . 30.2 t30 56.29 162.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.126 -0.984 . . . . 0.0 111.023 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.49 50.18 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.948 . . . . 0.0 109.461 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -153.08 37.89 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.974 -1.079 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.9 mm -91.47 154.1 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.061 -1.024 . . . . 0.0 109.449 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.84 28.44 7.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 111.189 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.4 -79.65 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.525 -0.734 . . . . 0.0 111.818 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -26.26 63.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.398 -1.439 . . . . 0.0 108.92 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.4 -41.86 88.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.013 -1.054 . . . . 0.0 109.795 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HB2' HG21 ' A' ' 20' ' ' ILE . 6.7 tp -68.81 -23.01 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.838 -1.164 . . . . 0.0 111.18 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -79.57 -32.76 42.07 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.512 -1.367 . . . . 0.0 110.149 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -35.63 66.05 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.883 -1.135 . . . . 0.0 109.863 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 15.6 m -74.39 -38.16 63.21 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.863 -1.148 . . . . 0.0 109.932 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.77 -34.24 77.4 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.921 -1.112 . . . . 0.0 110.358 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CB ' ' A' ' 34' ' ' SER . 1.9 t-80 -71.77 -19.03 62.08 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.854 -1.154 . . . . 0.0 111.605 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -52.12 5.22 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.336 -1.477 . . . . 0.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -59.75 -48.5 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 110.569 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 33.5 m-85 -92.13 29.26 1.67 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.975 -1.078 . . . . 0.0 112.44 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 1.4 t -110.66 -54.33 2.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.491 -1.381 . . . . 0.0 109.667 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.19 -34.64 10.38 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.939 -1.101 . . . . 0.0 110.675 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -56.89 -58.21 9.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.805 -1.185 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -107.59 0.35 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -139.85 137.79 35.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.055 -1.262 . . . . 0.0 109.237 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 33' ' ' PHE . 49.1 mt -99.63 115.55 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.996 -1.065 . . . . 0.0 109.622 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.67 -40.5 80.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.063 -1.023 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -171.23 150.03 2.9 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.041 -1.037 . . . . 0.0 110.414 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.4 mt -125.55 114.49 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.978 . . . . 0.0 109.206 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.29 143.43 26.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.07 -1.019 . . . . 0.0 109.719 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.84 131.51 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.073 -1.017 . . . . 0.0 109.039 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.491 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 2.7 m -108.11 135.77 48.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 109.825 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -118.83 39.37 3.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 109.559 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -99.61 166.51 11.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.995 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.803 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 1.4 tt -58.44 -47.36 84.24 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.923 -1.111 . . . . 0.0 109.5 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' ' C4 ' ' B' ' 42' ' ' ' G' . 9.4 mttt -55.82 -39.74 71.79 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.077 . . . . 0.0 109.686 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mtp -113.86 67.8 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.991 -1.068 . . . . 0.0 109.476 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.02 48.17 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.032 -1.042 . . . . 0.0 109.431 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.86 56.27 0.01 OUTLIER Glycine 0 N--CA 1.497 2.723 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.674 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.83 178.47 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.056 -1.261 . . . . 0.0 109.474 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -154.72 156.87 37.17 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 31.4 m-85 -127.41 117.6 22.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.115 -0.991 . . . . 0.0 108.881 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 33' ' ' PHE . 21.3 t -128.27 105.94 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.882 -1.137 . . . . 0.0 109.673 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.691 ' CG2' HD11 ' A' ' 92' ' ' ILE . 2.4 mt -99.76 124.62 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.988 . . . . 0.0 108.911 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.651 ' HD1' ' HB2' ' A' ' 64' ' ' ALA . 88.6 m-85 -92.32 152.48 19.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' CA ' HD13 ' A' ' 40' ' ' LEU . 32.0 tttt -50.08 -39.89 43.78 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.018 -1.051 . . . . 0.0 109.671 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.62 149.77 41.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.054 -1.029 . . . . 0.0 109.178 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 8' ' ' ASN . 7.1 p -62.61 -30.84 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.993 -1.067 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.18 86.29 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.752 -1.218 . . . . 0.0 109.564 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -58.68 -32.97 69.62 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.844 -1.16 . . . . 0.0 110.223 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB2' ' HD1' ' A' ' 58' ' ' PHE . . . -78.53 -29.73 46.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.733 -1.229 . . . . 0.0 109.701 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.476 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -62.39 -37.18 84.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.806 -1.184 . . . . 0.0 110.063 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -81.44 -37.08 28.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.9 -1.125 . . . . 0.0 109.893 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.713 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -61.55 -26.6 68.05 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.775 -1.203 . . . . 0.0 110.909 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.08 -37.19 12.28 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.566 -1.334 . . . . 0.0 110.184 -179.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -57.34 -38.09 73.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.887 -1.133 . . . . 0.0 109.936 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -83.07 -31.18 27.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.926 -1.109 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.5 mtp -102.22 35.83 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.693 -1.255 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.47 92.41 5.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.94 -1.1 . . . . 0.0 109.058 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.86 62.9 1.49 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.0 162.89 44.99 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 120.965 -1.315 . . . . 0.0 109.56 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.43 145.53 21.15 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.894 1.729 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 32' ' ' ILE . 7.0 t80 -131.75 -60.05 0.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.139 -0.976 . . . . 0.0 109.408 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -119.51 69.07 0.82 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.087 -1.008 . . . . 0.0 109.33 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 60.55 42.59 13.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 109.584 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -175.03 147.88 1.07 Allowed Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 120.939 -1.1 . . . . 0.0 110.071 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.27 146.57 22.44 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.697 1.598 . . . . 0.0 110.257 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -152.75 139.41 18.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.976 -1.077 . . . . 0.0 110.118 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -99.2 148.67 23.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 108.988 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.955 HG22 HD11 ' A' ' 68' ' ' LEU . 51.2 mt -110.87 141.93 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 110.184 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' NE2' ' H41' ' B' ' 43' ' ' ' C' . 21.6 pt20 -138.93 135.05 34.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 108.518 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 63.5 m-85 -48.99 143.32 5.67 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.998 -1.064 . . . . 0.0 110.56 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.29 -176.38 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.067 -1.021 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -92.67 -48.95 6.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 109.527 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.2 p -108.88 179.4 4.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.081 -1.012 . . . . 0.0 109.44 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.432 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 6.4 m-20 -86.63 174.44 8.88 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.287 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.486 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 3.9 p -100.29 151.18 21.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.073 -1.017 . . . . 0.0 109.682 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.06 -1.92 54.0 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.983 . . . . 0.0 111.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 57' ' ' ILE . 1.6 pt -68.41 -28.8 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.175 -1.578 . . . . 0.0 109.794 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp -79.3 -19.78 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.174 177.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.15 78.28 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.566 -1.333 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -84.62 -14.26 49.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.844 -1.16 . . . . 0.0 112.071 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 30.7 mmt -78.64 -39.67 36.41 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.801 -1.187 . . . . 0.0 109.278 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -52.12 -35.22 47.53 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.814 -1.179 . . . . 0.0 108.603 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.72 75.38 0.02 OUTLIER Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t 39.93 74.75 0.09 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.658 -0.907 . . . . 0.0 111.171 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.76 87.84 6.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 109.138 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 O4'-C1'-N19 110.971 2.771 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.055 0 O4'-C1'-N19 111.045 2.845 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 110.889 2.689 . 0.178 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.475 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 O4'-C1'-N19 110.877 2.677 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.441 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.948 0 O4'-C1'-N19 111.057 2.857 . 0.522 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.511 ' C5 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C5'-C4'-C3' 111.546 -2.636 . 0.022 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.4 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 O4'-C1'-N19 111.42 3.22 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 O4'-C1'-N19 111.436 3.236 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 O4'-C1'-N19 110.941 2.741 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 110.889 2.689 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.434 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 111.125 2.925 . 0.03 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . 0.42 " O2'" ' N7 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C3'-C2'-C1' 104.201 3.001 . 0.361 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.434 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.086 0 C5'-C4'-C3' 111.637 -2.575 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.431 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 O4'-C1'-N19 110.934 2.734 . 0.893 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 111.097 2.897 . 0.602 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.132 2.932 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 O4'-C1'-N19 111.127 2.927 . 0.243 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 O4'-C1'-N19 111.127 2.927 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.805 0 O4'-C1'-N19 110.988 2.788 . 0.428 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 111.033 2.833 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.863 0 O4'-C1'-N19 110.906 2.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.47 ' C2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C5'-C4'-C3' 111.522 -2.652 . 0.095 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.469 ' C2 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.611 1.806 0 C5'-C4'-C3' 111.708 -2.528 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.782 0 O4'-C1'-N19 110.865 2.665 . 0.023 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.536 -2.643 . 0.196 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.025 2.825 . 0.271 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.231 0 O4'-C1'-N19 111.042 2.842 . 0.498 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.475 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.075 2.875 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.149 2.949 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 O4'-C1'-N19 110.865 2.665 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.31 80.22 65.41 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.027 -1.046 . . . . 0.0 109.46 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.01 113.76 3.48 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.871 1.714 . . . . 0.0 110.416 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -179.39 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.125 -0.985 . . . . 0.0 109.341 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 118.06 14.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.95 -1.094 . . . . 0.0 109.415 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -104.33 157.7 33.5 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.1 -1.0 . . . . 0.0 109.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.7 Cg_endo -78.31 137.16 14.82 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.942 1.762 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -113.88 41.18 2.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.094 -1.004 . . . . 0.0 109.285 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' H ' HG13 ' A' ' 61' ' ' VAL . 1.3 t-160 56.11 25.97 9.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.073 -1.017 . . . . 0.0 110.68 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 56' ' ' VAL . 65.4 m -169.55 139.18 2.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.741 -1.225 . . . . 0.0 109.719 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.528 HG23 ' HB1' ' A' ' 64' ' ' ALA . 4.0 pt -110.82 169.25 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.934 -1.103 . . . . 0.0 109.077 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -135.52 123.67 22.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.139 -0.975 . . . . 0.0 109.709 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.656 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.9 mt -95.85 148.0 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -148.55 170.4 18.16 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.994 -1.067 . . . . 0.0 109.832 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 61.56 54.81 2.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.096 -1.002 . . . . 0.0 109.755 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' CG2' ' A' ' 13' ' ' ILE . 23.2 mt -106.96 -173.4 2.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.954 -1.092 . . . . 0.0 109.24 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.667 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -84.51 150.51 25.21 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.878 -1.139 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -103.25 40.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.11 -0.994 . . . . 0.0 109.833 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -150.97 36.16 0.61 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.038 -1.039 . . . . 0.0 110.051 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -110.77 157.31 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.965 -1.084 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' ILE . 18.1 mtpp -89.5 -180.0 5.94 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.119 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -36.02 27.38 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.957 -1.089 . . . . 0.0 110.054 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.68 -26.19 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -76.76 -46.65 24.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.789 -1.195 . . . . 0.0 109.999 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tp -71.35 -22.86 61.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.809 -1.182 . . . . 0.0 110.698 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.0 -25.04 30.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.583 -1.323 . . . . 0.0 109.951 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.05 -31.01 55.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.66 -1.275 . . . . 0.0 110.058 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -85.84 -38.54 18.0 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.679 -1.263 . . . . 0.0 110.206 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 32' ' ' ILE . 81.4 mt -69.12 -38.09 78.7 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.889 -1.132 . . . . 0.0 110.066 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -64.64 -32.58 74.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.96 -1.087 . . . . 0.0 110.42 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.97 -66.49 0.78 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.784 -1.197 . . . . 0.0 109.954 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.761 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -46.61 -58.1 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.893 -1.129 . . . . 0.0 111.986 -178.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 22.8 m-85 -65.1 -31.3 72.43 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.772 -1.205 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.0 p -62.56 -31.87 72.74 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.599 -1.313 . . . . 0.0 110.466 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -50.37 -35.79 29.66 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.515 -1.366 . . . . 0.0 110.47 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 43.7 m-85 -92.92 64.43 3.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.854 -1.154 . . . . 0.0 110.027 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.72 -139.48 14.43 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -133.88 146.75 50.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.108 -1.231 . . . . 0.0 109.484 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 34' ' ' SER . 24.9 mt -99.85 133.54 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.118 -0.989 . . . . 0.0 109.445 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 59' ' ' LYS . 65.4 mt -86.26 -42.45 13.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.99 -1.069 . . . . 0.0 109.455 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.48 160.28 34.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.139 -0.975 . . . . 0.0 110.281 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.8 mt -141.01 123.53 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.185 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD22 ' N3 ' ' B' ' 44' ' ' ' A' . 4.8 mp -86.25 116.81 24.67 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.036 -1.04 . . . . 0.0 109.632 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 44' ' ' VAL . 21.3 t -113.48 22.46 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.068 -1.02 . . . . 0.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.511 ' OG ' ' C5 ' ' B' ' 24' ' ' ' A' . 39.2 t -47.48 143.91 3.34 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.815 -1.178 . . . . 0.0 110.497 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -119.53 39.23 3.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.058 . . . . 0.0 109.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.6 p -75.88 170.25 16.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.952 -1.093 . . . . 0.0 108.795 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 6.4 tt -53.77 -41.27 66.99 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.811 -1.181 . . . . 0.0 109.605 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -69.78 -39.04 76.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.094 -1.004 . . . . 0.0 109.144 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.42 55.96 2.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.99 -1.069 . . . . 0.0 109.349 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' C2 ' ' B' ' 42' ' ' ' G' . 0.3 OUTLIER -100.43 130.18 46.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.854 -1.154 . . . . 0.0 109.429 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.93 38.67 86.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -161.16 153.45 20.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.948 -1.325 . . . . 0.0 109.977 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.34 -175.08 5.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.034 -1.041 . . . . 0.0 109.95 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 34.6 m-85 -135.35 149.84 49.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.086 -1.009 . . . . 0.0 109.21 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 10' ' ' THR . 21.2 t -132.34 140.77 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.936 -1.102 . . . . 0.0 109.193 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.936 HG21 HD11 ' A' ' 92' ' ' ILE . 11.3 mt -118.83 139.49 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.96 -1.088 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 61.6 m-85 -117.21 149.62 40.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.036 -1.04 . . . . 0.0 109.47 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 40' ' ' LEU . 11.1 ttmt -55.68 -40.12 71.89 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.993 -1.067 . . . . 0.0 109.321 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -120.84 161.95 20.65 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.387 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 9' ' ' HIS . 47.1 t -74.27 -36.98 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.049 -1.032 . . . . 0.0 109.805 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.4 p -60.12 -34.9 74.14 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.906 -1.121 . . . . 0.0 110.215 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -61.31 -35.71 78.12 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.79 -1.194 . . . . 0.0 110.47 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.36 -32.15 62.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.791 -1.193 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 ' HD2' ' A' ' 69' ' ' ARG . 18.1 m -62.87 -38.33 90.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.004 -1.06 . . . . 0.0 109.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -73.05 -36.59 66.94 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.94 -1.1 . . . . 0.0 109.619 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.44 -23.23 66.26 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.879 -1.138 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' O ' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -85.55 -57.89 2.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.476 -1.39 . . . . 0.0 110.226 -179.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.705 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -51.54 -36.9 46.98 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.913 -1.117 . . . . 0.0 110.464 -179.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -77.53 -36.33 52.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.066 . . . . 0.0 110.053 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 mtp -101.95 34.46 2.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.934 -1.104 . . . . 0.0 110.179 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 68' ' ' LEU . 2.8 mm-40 -76.34 96.41 3.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.845 -1.159 . . . . 0.0 108.698 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.43 70.55 1.23 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -121.34 172.41 4.94 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.102 -1.234 . . . . 0.0 109.765 -179.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.1 Cg_endo -77.66 136.12 15.07 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.88 1.72 . . . . 0.0 110.562 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 6.0 t80 -156.55 112.4 2.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.157 -0.964 . . . . 0.0 109.188 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 11.1 m-85 60.78 41.36 14.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.834 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.26 62.94 2.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.094 -1.004 . . . . 0.0 109.762 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -178.82 142.47 0.41 Allowed Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 120.913 -1.117 . . . . 0.0 110.015 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.17 124.68 6.73 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.597 1.531 . . . . 0.0 110.077 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -131.25 135.25 47.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -104.68 148.31 26.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.476 ' O ' HD21 ' A' ' 68' ' ' LEU . 72.6 mt -110.73 142.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -147.12 137.01 23.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.125 -0.984 . . . . 0.0 109.06 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' OH ' HG23 ' A' ' 65' ' ' THR . 32.5 m-85 -48.85 155.69 0.57 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.954 -1.091 . . . . 0.0 110.25 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.8 5.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.111 -0.993 . . . . 0.0 109.142 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' HG3' ' C2 ' ' B' ' 43' ' ' ' C' . 3.2 mtmp? -86.27 -48.04 8.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.964 -1.085 . . . . 0.0 109.343 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -105.93 179.61 4.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.017 -1.052 . . . . 0.0 109.5 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 8.6 m-20 -86.39 178.48 7.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.005 -1.06 . . . . 0.0 109.288 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.45 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 6.0 p -94.44 156.48 16.46 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.081 -1.012 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.71 -20.69 21.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.041 -1.037 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.936 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -59.71 -23.16 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.523 -1.36 . . . . 0.0 109.514 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.668 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -76.47 -38.39 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.567 -1.333 . . . . 0.0 107.946 178.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.69 -29.51 27.01 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.155 -0.966 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -87.03 -27.81 22.98 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.638 -1.289 . . . . 0.0 111.946 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.411 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.3 mmt -66.58 -29.64 69.75 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.089 -1.007 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -47.74 -34.67 8.68 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 120.751 -1.218 . . . . 0.0 108.966 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.72 -57.5 0.19 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 t 178.44 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.036 -1.273 . . . . 0.0 110.066 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 45.75 50.52 10.86 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.996 -1.065 . . . . 0.0 111.032 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.499 2.022 0 O-C-N 120.972 -1.08 . . . . 0.0 110.096 -179.839 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 110.883 2.683 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.406 ' N1 ' ' N3 ' ' B' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.802 0 O4'-C1'-N19 111.075 2.875 . 0.361 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-C3' 111.611 -2.593 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.526 ' C2 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.054 2.854 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.944 0 O4'-C1'-N19 111.303 3.103 . 0.328 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' N3 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C3'-C2'-C1' 104.47 3.3 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.479 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.706 3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.405 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.211 0 O4'-C1'-N19 111.773 3.573 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 111.144 2.944 . 0.377 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C5'-C4'-C3' 111.693 -2.538 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.445 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.112 2.912 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C3'-C2'-C1' 104.235 3.039 . 0.309 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.447 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C5'-C4'-C3' 111.64 -2.573 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.538 ' C2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 110.908 2.708 . 0.899 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.538 ' N7 ' ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.176 0 O4'-C1'-N19 111.062 2.862 . 0.668 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.522 ' C6 ' ' C6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.068 0 O4'-C1'-N19 111.185 2.985 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.522 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.222 3.022 . 0.148 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 111.034 2.834 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.511 ' C2 ' ' C2 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.799 0 O4'-C1'-N19 110.891 2.691 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.543 " H1'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C1' 1.439 2.074 0 O4'-C1'-N19 111.145 2.945 . 0.266 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.846 0 O4'-C1'-N19 110.936 2.736 . 0.324 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.449 ' N2 ' ' HB2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.028 0 O4'-C1'-N19 110.853 2.653 . 0.015 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.474 ' C2 ' ' HG3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.431 -1.84 0 C5'-C4'-C3' 111.922 -2.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 C5'-C4'-C3' 111.526 -2.649 . 0.105 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.459 " O2'" ' P ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 O4'-C1'-N19 111.553 3.353 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' N3 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 111.058 2.858 . 0.029 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 O4'-C1'-N19 111.363 3.163 . 0.504 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.526 ' N2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.149 0 O4'-C1'-N19 111.026 2.826 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . 0.406 ' N3 ' ' N1 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.106 2.906 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 O4'-C1'-N19 110.954 2.754 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.7 p -142.09 63.42 15.61 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.093 -1.004 . . . . 0.0 109.418 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.56 92.86 1.1 Allowed 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 121.812 1.675 . . . . 0.0 110.253 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.67 101.03 0.22 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.076 -1.015 . . . . 0.0 109.57 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 5' ' ' THR . 16.0 m 56.91 39.21 29.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.895 -1.128 . . . . 0.0 109.974 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 63.34 117.07 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.903 0 O-C-N 121.008 -1.058 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.09 139.38 17.03 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 121.548 1.499 . . . . 0.0 110.397 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -117.68 175.95 5.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.109 -0.994 . . . . 0.0 109.491 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 4.3 t60 -86.18 -41.91 14.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.018 -1.051 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.0 m -101.15 150.49 22.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.712 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -111.88 147.29 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.0 . . . . 0.0 109.283 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 37.2 t80 -118.86 126.5 51.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.225 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 54' ' ' ALA . 5.8 mt -98.88 150.79 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.068 -1.02 . . . . 0.0 108.952 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -141.92 176.22 9.11 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.923 -1.111 . . . . 0.0 109.623 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 42.75 17.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.139 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' CA ' ' A' ' 53' ' ' GLN . 67.3 mt -92.4 178.95 5.67 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.159 -0.963 . . . . 0.0 109.567 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' HB3' HD11 ' A' ' 20' ' ' ILE . 24.0 t30 -73.34 150.54 41.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.037 -1.039 . . . . 0.0 109.129 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -102.07 38.03 1.74 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 110.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -151.43 35.64 0.57 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.913 -1.117 . . . . 0.0 110.183 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 25' ' ' LEU . 9.6 mm -101.53 151.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.886 -1.134 . . . . 0.0 109.755 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -79.77 -179.58 7.0 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -88.05 -40.13 14.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.987 -1.071 . . . . 0.0 109.153 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -27.19 59.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.095 -1.003 . . . . 0.0 108.589 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 1.7 tp10 -74.24 -48.07 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.915 -1.115 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 20' ' ' ILE . 10.2 tp -64.48 -34.05 77.32 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.96 -1.088 . . . . 0.0 110.689 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.15 -29.1 62.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.849 -1.157 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -30.98 61.91 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.639 -1.288 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.9 m -77.37 -38.84 49.22 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.722 -1.236 . . . . 0.0 110.174 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.665 ' HB2' HD13 ' A' ' 42' ' ' ILE . 16.9 mt -67.6 -40.39 84.74 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.971 -1.081 . . . . 0.0 109.754 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HA ' HD11 ' A' ' 42' ' ' ILE . 1.7 t-80 -61.76 -29.48 70.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.07 -1.018 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.19 -70.13 0.56 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.678 -1.264 . . . . 0.0 110.011 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.56 -58.44 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.987 . . . . 0.0 111.95 -178.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 47.6 m-85 -62.29 -34.47 76.64 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.823 -1.173 . . . . 0.0 110.804 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.477 ' N ' HD11 ' A' ' 39' ' ' ILE . 2.2 t -57.15 -33.84 67.81 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.778 -1.202 . . . . 0.0 110.371 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -46.71 -43.16 17.63 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.761 -1.212 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -99.42 74.92 1.94 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.748 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.32 160.61 32.46 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -84.4 146.8 27.48 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.034 -1.274 . . . . 0.0 109.309 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 34' ' ' SER . 36.1 mt -97.32 147.58 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.03 -1.044 . . . . 0.0 109.633 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 59' ' ' LYS . 4.9 mp -91.71 -39.82 11.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.112 -0.992 . . . . 0.0 109.642 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.67 151.57 2.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.056 -1.027 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 55' ' ' PHE . 60.7 mt -123.31 131.63 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.067 -1.021 . . . . 0.0 109.392 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.72 125.53 50.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.003 -1.061 . . . . 0.0 109.626 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 29.7 m -132.86 136.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.108 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 15.7 m -124.17 139.64 53.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.985 -1.072 . . . . 0.0 109.968 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -109.8 40.18 1.96 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 p -97.63 165.71 11.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.011 -1.056 . . . . 0.0 109.124 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.543 HD21 " H1'" ' B' ' 40' ' ' ' U' . 5.1 tt -53.79 -39.76 65.73 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.836 -1.165 . . . . 0.0 109.817 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -66.07 -40.45 90.88 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.981 -1.075 . . . . 0.0 109.484 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.4 mmt -100.87 62.1 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HB2' ' N2 ' ' B' ' 42' ' ' ' G' . 19.8 mtt-85 -107.21 56.81 0.64 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.094 . . . . 0.0 109.618 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.18 57.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.775 ' CA ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -177.83 178.77 0.94 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.04 -1.271 . . . . 0.0 110.497 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -163.68 179.21 7.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.775 -1.203 . . . . 0.0 110.598 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' ILE . 58.6 m-85 -137.22 138.29 39.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.015 -1.053 . . . . 0.0 109.216 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.46 109.93 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.978 -1.076 . . . . 0.0 109.623 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD11 ' A' ' 93' ' ' ILE . 38.7 mt -91.35 116.46 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.989 -1.069 . . . . 0.0 108.872 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 3.2 m-85 -88.22 148.14 24.51 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.443 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 40' ' ' LEU . 8.3 ttmm -49.5 -35.57 20.33 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -134.78 164.13 28.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.556 179.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.2 t -67.31 -37.66 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.078 -1.013 . . . . 0.0 110.175 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 60' ' ' GLU . 59.4 p -58.23 -34.47 70.45 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.961 -1.087 . . . . 0.0 110.488 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.5 m -64.46 -36.91 85.71 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.767 -1.208 . . . . 0.0 110.376 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -73.0 -27.36 61.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.857 -1.152 . . . . 0.0 109.605 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.486 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.6 m -68.18 -39.2 82.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.874 -1.141 . . . . 0.0 109.44 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -68.13 -41.39 81.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.097 . . . . 0.0 109.094 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -56.34 -38.43 71.34 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.068 -1.02 . . . . 0.0 109.556 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.12 -35.99 77.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.019 -1.051 . . . . 0.0 109.765 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -94.24 56.89 2.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 109.311 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -160.11 -56.54 0.06 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.055 -1.028 . . . . 0.0 109.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.445 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 93.3 mtp -104.72 36.52 2.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.21 105.38 0.33 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.955 -1.091 . . . . 0.0 108.836 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.06 1.47 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.74 -1.744 . . . . 0.0 108.74 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 1.7 m-85 -116.82 167.05 11.37 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.117 -1.225 . . . . 0.0 109.961 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.08 126.95 8.16 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.962 1.774 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -138.29 112.01 8.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 108.889 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.62 ' CD2' HD12 ' A' ' 20' ' ' ILE . 70.4 m-85 71.36 -83.94 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 122.114 -0.366 . . . . 0.0 110.394 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -154.88 47.28 0.54 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.581 -1.325 . . . . 0.0 110.245 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -179.44 156.13 0.8 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 120.977 -1.077 . . . . 0.0 110.15 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -76.51 141.87 22.87 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.762 1.642 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 16' ' ' LEU . 1.4 ptt? -140.68 130.89 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.026 -1.046 . . . . 0.0 110.218 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -100.96 150.01 23.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.207 -0.933 . . . . 0.0 108.696 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.85 136.82 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.069 -1.02 . . . . 0.0 110.557 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -130.19 140.71 50.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 2.6 m-85 -50.92 151.15 2.64 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.882 -1.136 . . . . 0.0 109.891 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 178.2 2.73 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HG3' ' C2 ' ' B' ' 43' ' ' ' C' . 0.7 OUTLIER -94.16 -44.33 8.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 109.156 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.9 p -119.34 179.99 4.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.117 -0.989 . . . . 0.0 109.6 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -94.67 -176.05 3.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.52 ' OG ' HD13 ' A' ' 57' ' ' ILE . 28.3 t -103.43 166.66 10.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.067 -1.021 . . . . 0.0 109.612 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.447 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 17.9 t70 -96.49 -24.24 16.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.037 -1.039 . . . . 0.0 110.956 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -57.7 -25.65 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.46 -1.4 . . . . 0.0 109.341 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm -68.37 -44.57 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.95 -50.99 44.72 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.651 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -53.08 -42.36 65.79 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.857 -1.152 . . . . 0.0 109.981 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.4 ' N ' ' CE ' ' A' ' 96' ' ' MET . 28.5 mmt -60.23 168.44 1.99 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.8 mttt 64.77 17.37 10.94 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.37 -56.84 0.58 Allowed Glycine 0 N--CA 1.478 1.466 0 O-C-N 120.607 -1.308 . . . . 0.0 110.459 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t -179.64 -45.69 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.883 -1.363 . . . . 0.0 111.45 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -150.47 46.96 0.89 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.667 -1.271 . . . . 0.0 110.005 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 N--CA 1.49 1.55 0 O-C-N 120.993 -1.067 . . . . 0.0 108.946 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 0 O4'-C1'-N19 110.986 2.786 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.094 0 O4'-C1'-N19 111.095 2.895 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.08 2.88 . 0.342 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.0 2.8 . 0.081 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.506 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.95 0 O4'-C1'-N19 111.175 2.975 . 0.288 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.506 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 C5'-C4'-C3' 111.513 -2.658 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.621 ' C4 ' HD12 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 111.761 3.561 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.121 0 O4'-C1'-N19 111.881 3.681 . 0.19 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.125 2.925 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.523 ' C2 ' ' N2 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 110.782 2.582 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.477 ' C2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.362 3.162 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . 0.521 " O2'" ' C5 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 C3'-C2'-C1' 104.289 3.099 . 0.433 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.477 ' C4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.084 0 C5'-C4'-C3' 111.576 -2.616 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.521 ' C5 ' " O2'" ' B' ' 30' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.013 2.813 . 0.749 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.514 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.466 3.266 . 0.6 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.523 ' N2 ' ' C2 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.061 0 O4'-C1'-N19 111.202 3.002 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.994 0 O4'-C1'-N19 111.25 3.05 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.887 2.687 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.535 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 O4'-C1'-N19 110.947 2.747 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.535 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 111.232 3.032 . 0.397 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.817 0 O4'-C1'-N19 110.953 2.753 . 0.39 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.444 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C5'-C4'-C3' 111.686 -2.543 . 0.109 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.454 ' C2 ' ' HG2' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.873 0 O4'-C1'-N19 110.835 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.533 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.436 1.828 0 O4'-C1'-N19 110.92 2.72 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.529 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.038 2.838 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.53 ' C4 ' ' C4 ' ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.467 3.267 . 0.068 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . 0.53 ' C4 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.146 0 O4'-C1'-N19 111.093 2.893 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.085 0 O4'-C1'-N19 111.016 2.816 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 O4'-C1'-N19 111.013 2.813 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 110.859 2.659 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.77 86.51 13.16 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.003 -1.061 . . . . 0.0 109.484 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.8 114.88 3.72 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 121.879 1.719 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.13 173.4 0.35 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.026 -1.046 . . . . 0.0 109.374 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.93 116.81 7.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.045 . . . . 0.0 109.604 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -97.32 115.3 65.71 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.123 -0.986 . . . . 0.0 109.086 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.0 Cg_endo -77.27 110.73 3.06 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 121.366 1.377 . . . . 0.0 110.507 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.81 156.53 17.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.145 -0.972 . . . . 0.0 109.406 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -55.52 -38.3 69.06 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.04 -1.037 . . . . 0.0 109.792 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.4 m -106.78 140.94 38.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.957 -1.089 . . . . 0.0 109.826 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.666 HG23 ' HB1' ' A' ' 64' ' ' ALA . 11.6 pt -107.69 146.05 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.134 -0.979 . . . . 0.0 109.307 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 42.7 t80 -104.7 124.52 49.53 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.274 -0.891 . . . . 0.0 109.43 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' HD21 ' A' ' 16' ' ' LEU . 5.6 mt -101.72 153.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.017 -1.052 . . . . 0.0 109.093 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -141.49 173.97 10.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.946 -1.097 . . . . 0.0 109.581 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 60.24 58.53 2.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.056 -1.028 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' ASN . 62.0 mt -114.12 47.72 1.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.996 -1.065 . . . . 0.0 109.652 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.607 ' HB3' HD11 ' A' ' 20' ' ' ILE . 5.8 t-20 55.87 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.188 -0.945 . . . . 0.0 110.87 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.54 39.9 3.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.075 -1.015 . . . . 0.0 109.953 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -147.65 34.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.993 -1.067 . . . . 0.0 110.107 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 25' ' ' LEU . 3.9 mt -115.28 156.72 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.905 -1.122 . . . . 0.0 110.095 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 20' ' ' ILE . 21.9 mttm -91.09 -179.16 5.37 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.191 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -79.41 -38.7 34.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.049 -1.032 . . . . 0.0 109.699 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.43 -25.67 65.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.045 -1.035 . . . . 0.0 108.878 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 20' ' ' ILE . 5.4 mm-40 -73.17 -54.81 7.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.867 -1.145 . . . . 0.0 109.776 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 20' ' ' ILE . 94.0 mt -62.7 -20.53 64.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.937 -1.102 . . . . 0.0 111.253 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -84.93 -27.85 26.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.457 -1.402 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.87 -29.67 50.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.7 -1.25 . . . . 0.0 110.265 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -88.71 -36.04 16.4 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.653 -1.279 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 25' ' ' LEU . 22.9 mt -72.09 -41.44 67.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.858 -1.151 . . . . 0.0 109.625 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' HD2' HD11 ' A' ' 42' ' ' ILE . 3.8 t-80 -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.36 -67.3 0.7 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.783 -1.198 . . . . 0.0 109.976 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -43.96 -59.66 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 112.103 -178.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HD1' ' HB1' ' A' ' 67' ' ' ALA . 29.8 m-85 -61.78 -37.52 84.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.716 -1.24 . . . . 0.0 110.277 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.0 t -51.88 -35.69 46.06 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.896 -1.127 . . . . 0.0 110.471 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -53.79 -49.8 67.51 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.751 -1.218 . . . . 0.0 109.714 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 97.6 m-85 -57.43 -58.73 6.97 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.008 -1.058 . . . . 0.0 109.513 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.35 -158.48 8.25 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -89.8 149.81 22.53 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.083 -1.245 . . . . 0.0 109.425 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 34' ' ' SER . 42.0 mt -114.07 117.16 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 109.608 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 59' ' ' LYS . 6.8 mp -62.28 -68.75 0.3 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.051 -1.031 . . . . 0.0 109.348 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -148.25 162.21 39.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 109.747 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 56' ' ' VAL . 39.7 mt -129.87 133.61 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.961 -1.087 . . . . 0.0 109.393 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.4 128.69 50.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 109.749 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.82 160.27 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.995 -1.065 . . . . 0.0 108.786 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.0 OUTLIER -149.74 147.46 28.07 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.899 -1.126 . . . . 0.0 109.972 -179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -117.88 37.23 4.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 0.0 109.739 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.4 p -96.95 173.81 7.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.206 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 0.8 OUTLIER -71.51 -41.21 69.52 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 109.538 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -66.2 -39.11 89.4 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.997 -1.065 . . . . 0.0 109.74 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mtp -107.05 57.92 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.944 -1.097 . . . . 0.0 109.41 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -103.02 144.79 30.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.043 -1.036 . . . . 0.0 109.646 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.87 38.46 84.23 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 3.7 pt20 -159.64 150.19 19.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.975 -1.309 . . . . 0.0 109.824 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.65 -172.66 4.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.052 -1.03 . . . . 0.0 110.377 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 20.6 m-85 -142.59 150.17 39.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.137 -0.977 . . . . 0.0 109.045 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' THR . 14.5 p -138.63 137.61 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.018 -1.051 . . . . 0.0 109.739 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.56 ' CG2' HD11 ' A' ' 93' ' ' ILE . 4.7 mp -109.37 122.41 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 68.7 m-85 -93.69 155.49 17.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 109.253 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 40' ' ' LEU . 30.1 ttmt -52.21 -39.57 60.37 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.97 -1.081 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.5 174.63 8.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.105 -0.997 . . . . 0.0 109.147 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.54 -37.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.966 -1.084 . . . . 0.0 109.776 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -60.48 -32.16 71.15 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.96 -1.087 . . . . 0.0 110.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -34.32 78.15 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.779 -1.201 . . . . 0.0 110.604 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.666 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -73.55 -35.89 65.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.697 -1.252 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.644 HG23 ' OH ' ' A' ' 85' ' ' TYR . 32.4 m -61.03 -37.49 82.78 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.091 -1.005 . . . . 0.0 109.857 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -71.48 -36.61 71.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.933 -1.104 . . . . 0.0 109.509 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.562 ' HB1' ' HD1' ' A' ' 33' ' ' PHE . . . -74.7 -12.47 60.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.806 -1.184 . . . . 0.0 111.381 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.684 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -93.57 -39.96 10.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.331 -1.48 . . . . 0.0 110.463 -179.285 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 65' ' ' THR . 10.6 mtp85 -75.63 -45.58 36.47 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.895 -1.128 . . . . 0.0 109.485 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.44 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 56.6 m -65.11 -36.04 83.02 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.117 -0.989 . . . . 0.0 109.694 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.2 mmm -102.87 35.66 2.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.909 -1.12 . . . . 0.0 109.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.29 101.76 4.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.901 -1.125 . . . . 0.0 108.767 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.85 70.56 1.26 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 70' ' ' SER . 1.9 m-85 -116.35 168.52 8.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.133 -1.216 . . . . 0.0 110.017 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.49 109.38 2.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.089 1.859 . . . . 0.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.73 120.76 24.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.045 -1.034 . . . . 0.0 108.244 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.714 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 26.0 m-85 59.86 40.08 19.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.73 67.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.01 -1.057 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 178.84 146.76 0.37 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 120.913 -1.117 . . . . 0.0 109.998 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.15 113.34 3.38 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.538 1.492 . . . . 0.0 109.887 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.48 126.5 46.84 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.999 -1.063 . . . . 0.0 110.295 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -95.76 145.48 25.29 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.037 -1.039 . . . . 0.0 108.801 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.5 mt -105.0 137.01 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.031 -1.043 . . . . 0.0 110.343 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.54 135.29 38.35 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.644 ' OH ' HG23 ' A' ' 65' ' ' THR . 34.6 m-85 -45.02 162.78 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.194 -0.941 . . . . 0.0 111.225 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.66 -170.69 3.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.23 -0.919 . . . . 0.0 109.214 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 18.0 mmtt -79.9 -51.36 9.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.007 -1.058 . . . . 0.0 109.002 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -132.23 -179.69 5.58 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.178 -0.951 . . . . 0.0 109.789 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.37 -175.96 0.54 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.179 -0.951 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -94.0 156.83 16.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.079 . . . . 0.0 109.394 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -29.86 51.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.04 -1.037 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 93' ' ' ILE . 33.6 pt -58.97 -24.99 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.703 -1.248 . . . . 0.0 109.163 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -72.0 -41.97 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.65 -1.282 . . . . 0.0 107.6 178.271 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.3 41.75 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.201 -0.937 . . . . 0.0 110.12 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -64.13 -42.99 96.6 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.801 -1.187 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.28 72.43 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.491 -0.755 . . . . 0.0 110.813 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -40.02 62.29 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.88 -60.61 0.04 OUTLIER Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t 174.85 52.28 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.17 -1.194 . . . . 0.0 109.951 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -40.52 76.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.886 -1.134 . . . . 0.0 109.66 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 101' ' ' VAL . 11.3 p . . . . . 0 N--CA 1.501 2.087 0 O-C-N 120.932 -1.105 . . . . 0.0 110.262 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C3'-C2'-C1' 104.044 2.827 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.418 ' C5 ' ' C5 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.941 0 O4'-C1'-N19 111.047 2.847 . 0.453 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.418 ' C5 ' ' C5 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 110.82 2.62 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.539 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 110.912 2.712 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.537 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.027 0 O4'-C1'-N19 111.237 3.037 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.536 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C3'-C2'-C1' 104.022 2.803 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.476 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.273 3.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.015 0 O4'-C1'-N19 111.705 3.505 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 111.092 2.892 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.422 ' C5 ' ' C4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 110.8 2.6 . 0.179 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 110.965 2.765 . 0.267 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C3'-C2'-C1' 104.203 3.003 . 0.422 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C5'-C4'-C3' 111.558 -2.628 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.43 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 O4'-C1'-N19 110.861 2.661 . 0.823 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.132 2.932 . 0.653 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.08 0 O4'-C1'-N19 111.126 2.926 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 111.105 2.905 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 110.947 2.747 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C1'-N19 111.078 2.878 . 0.418 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 110.98 2.78 . 0.149 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.877 0 O4'-C1'-N19 110.854 2.654 . 0.021 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.461 ' C2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 O4'-C1'-N19 110.912 2.712 . 0.051 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.777 0 C5'-C4'-C3' 111.759 -2.494 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.796 0 O4'-C1'-N19 110.836 2.636 . 0.16 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.406 ' N3 ' ' HB2' ' A' ' 91' ' ' ASP . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 O4'-C1'-N19 111.467 3.267 . 0.373 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.536 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.49 3.29 . 0.068 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.539 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 111.05 2.85 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.293 3.093 . 0.287 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 O4'-C1'-N19 110.79 2.59 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.5 t 58.77 77.14 0.41 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.057 -1.027 . . . . 0.0 109.563 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 -179.06 5.09 Favored 'Trans proline' 0 C--N 1.323 -0.787 0 C-N-CA 121.832 1.688 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 171.48 1.03 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.019 -1.051 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.63 93.54 2.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.039 -1.038 . . . . 0.0 109.502 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 147.66 33.35 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.012 -1.055 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.15 143.83 18.06 Favored 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.798 1.665 . . . . 0.0 110.502 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.852 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-20 -141.45 -178.59 5.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.058 -1.026 . . . . 0.0 109.118 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.79 ' CD2' HG21 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -101.37 33.29 2.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.036 -1.04 . . . . 0.0 110.172 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.915 HG23 HD13 ' A' ' 57' ' ' ILE . 78.7 m -167.92 123.8 1.05 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.813 -1.179 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.765 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.2 pp -88.8 163.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.949 -1.095 . . . . 0.0 109.088 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 53' ' ' GLN . 16.2 t80 -132.44 129.17 38.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.034 -1.041 . . . . 0.0 109.568 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 16' ' ' LEU . 5.1 mt -104.37 153.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -140.63 169.33 17.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.054 -1.028 . . . . 0.0 109.471 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.7 57.38 4.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 109.498 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 13' ' ' ILE . 18.1 mt -100.42 45.7 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.562 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LEU . 6.8 t30 56.7 160.92 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.089 -1.007 . . . . 0.0 110.746 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.99 36.8 3.35 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.962 -1.086 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -151.21 35.0 0.58 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.889 -1.132 . . . . 0.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.6 mm -101.6 152.47 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.851 -1.156 . . . . 0.0 109.822 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.44 -177.05 6.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -86.48 -39.34 16.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 109.298 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.51 -25.85 54.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.182 -0.949 . . . . 0.0 108.861 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -76.02 -45.09 36.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.92 -1.112 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.805 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.58 -33.26 74.65 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.896 -1.128 . . . . 0.0 110.371 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -31.48 66.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.797 -1.189 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.76 -34.2 66.84 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.67 -1.269 . . . . 0.0 110.241 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 14.6 m -75.1 -33.37 61.62 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.784 -1.198 . . . . 0.0 110.494 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 13' ' ' ILE . 77.8 mt -75.03 -30.84 61.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.779 -1.201 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 6.9 t-80 -83.28 -23.5 32.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.781 -1.2 . . . . 0.0 111.093 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -33.18 21.96 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.546 -1.346 . . . . 0.0 110.506 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.635 HD12 ' HE1' ' A' ' 76' ' ' PHE . 14.7 mt -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 O-C-N 120.826 -1.171 . . . . 0.0 110.218 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 61.9 m-85 -90.39 -29.26 18.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.804 -1.185 . . . . 0.0 111.504 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.571 -1.331 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -51.8 -34.66 40.98 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.584 -1.322 . . . . 0.0 110.641 -179.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CE1' ' OD1' ' A' ' 66' ' ' ASN . 14.3 m-85 -63.65 -52.24 61.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.812 -1.18 . . . . 0.0 109.104 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.72 -107.23 0.47 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -145.8 129.87 17.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.115 -1.227 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 57' ' ' ILE . 67.3 mt -94.99 143.93 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.065 -1.022 . . . . 0.0 109.155 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 59' ' ' LYS . 92.5 mt -94.74 -38.4 10.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.079 -1.013 . . . . 0.0 110.303 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -166.47 142.93 4.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.891 -1.131 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.9 mt -120.46 112.84 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.982 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.23 114.44 26.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.951 -1.093 . . . . 0.0 110.033 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' ' N6 ' ' B' ' 24' ' ' ' A' . 6.5 t -110.59 160.62 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.133 -0.98 . . . . 0.0 108.477 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.484 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 32.9 t -154.81 165.43 36.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.801 -1.187 . . . . 0.0 110.387 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -133.99 38.77 3.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.674 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.4 p -89.66 164.66 14.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.968 -1.082 . . . . 0.0 108.73 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 5.3 tt -59.76 -53.06 62.32 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.843 -1.161 . . . . 0.0 109.118 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -59.86 -40.19 87.75 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.089 -1.007 . . . . 0.0 109.406 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 mtp -105.25 63.67 0.7 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.029 -1.045 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB3' ' C2 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -109.23 138.15 46.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.98 -1.075 . . . . 0.0 109.521 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.36 38.23 96.08 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 10.3 pt20 -153.16 158.32 41.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.837 -1.39 . . . . 0.0 109.637 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.52 173.97 14.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.0 -1.062 . . . . 0.0 110.154 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.16 121.46 26.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 60.7 t -108.4 131.27 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.875 -1.141 . . . . 0.0 108.845 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.915 HD13 HG23 ' A' ' 10' ' ' THR . 17.9 mm -105.5 140.48 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.078 -1.014 . . . . 0.0 109.31 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.55 143.93 44.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.016 -1.053 . . . . 0.0 109.35 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 40' ' ' LEU . 20.9 ttmt -52.47 -39.97 61.78 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.955 -1.091 . . . . 0.0 109.684 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -125.26 148.35 48.71 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.162 -0.961 . . . . 0.0 109.266 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 8' ' ' ASN . 61.6 t -60.6 -34.34 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.092 -1.005 . . . . 0.0 110.156 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 p -60.79 -38.3 84.84 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.854 -1.154 . . . . 0.0 109.805 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.24 -34.56 72.37 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.938 -1.101 . . . . 0.0 110.504 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.765 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -72.86 -34.69 66.91 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.76 -1.212 . . . . 0.0 109.084 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.493 HG23 ' OH ' ' A' ' 85' ' ' TYR . 8.3 m -59.31 -38.85 81.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.356 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' OD1' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -69.93 -37.5 75.93 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 33' ' ' PHE . . . -79.63 -3.59 47.83 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.909 -1.119 . . . . 0.0 111.302 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.927 HD12 HG22 ' A' ' 83' ' ' ILE . 3.3 tp -96.58 -44.47 7.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.319 -1.488 . . . . 0.0 109.896 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -81.56 -42.47 20.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 109.461 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 58.4 m -63.94 -31.5 72.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.436 ' HB2' HD12 ' A' ' 83' ' ' ILE . 80.2 mmm -102.88 37.41 1.96 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.701 -1.249 . . . . 0.0 109.703 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -77.93 108.14 10.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.079 . . . . 0.0 109.311 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.59 58.8 6.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -102.44 170.96 5.71 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.256 . . . . 0.0 109.841 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.6 Cg_endo -80.02 137.12 12.11 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.014 1.81 . . . . 0.0 110.687 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.635 ' HE1' HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -154.2 106.92 2.84 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.072 -1.018 . . . . 0.0 109.344 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.927 ' CD2' HD12 ' A' ' 20' ' ' ILE . 90.6 m-85 58.72 44.85 16.6 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.179 -0.951 . . . . 0.0 109.704 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.41 68.59 0.83 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.129 -0.982 . . . . 0.0 109.817 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.2 151.5 0.44 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.959 -1.088 . . . . 0.0 110.057 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.07 134.99 13.48 Favored 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.76 1.64 . . . . 0.0 109.949 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.18 121.31 23.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 0.0 110.403 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -100.3 144.75 28.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.119 -0.988 . . . . 0.0 108.422 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.927 HG22 HD12 ' A' ' 68' ' ' LEU . 56.5 mt -113.0 134.2 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.968 -1.082 . . . . 0.0 110.629 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -131.0 141.25 50.23 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.493 ' OH ' HG23 ' A' ' 65' ' ' THR . 8.1 m-85 -52.09 168.88 0.08 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.729 -1.232 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.67 174.34 7.55 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.005 -1.06 . . . . 0.0 109.74 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -95.5 -44.36 7.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.036 -1.04 . . . . 0.0 109.517 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.0 p -99.09 178.66 4.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.045 -1.035 . . . . 0.0 109.657 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -100.75 -179.37 4.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.05 -1.031 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.46 157.9 18.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.074 -1.016 . . . . 0.0 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 39.0 t70 -93.38 -26.79 17.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.012 . . . . 0.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.735 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.4 pp -56.98 -27.3 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.579 -1.326 . . . . 0.0 109.46 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.79 HG21 ' CD2' ' A' ' 9' ' ' HIS . 1.1 mm -66.42 -45.45 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.74 -32.04 2.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.393 -0.817 . . . . 0.0 111.252 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' CB ' ' HE3' ' A' ' 96' ' ' MET . 9.5 mttp -79.22 -40.93 29.46 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.442 ' HE3' ' CB ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -66.1 -21.88 66.38 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.362 -0.836 . . . . 0.0 111.593 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -50.67 -37.0 38.47 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.537 -1.352 . . . . 0.0 107.907 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.88 -53.87 0.05 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 t 173.94 52.23 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.255 -1.144 . . . . 0.0 109.855 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 16.3 t80 45.82 39.42 5.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.031 -1.043 . . . . 0.0 111.023 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.499 1.977 0 O-C-N 120.974 -1.079 . . . . 0.0 110.202 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 O4'-C1'-N19 110.972 2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.845 0 O4'-C1'-N19 111.037 2.837 . 0.382 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 O4'-C1'-N19 110.87 2.67 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.537 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 110.817 2.617 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.423 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.916 0 O4'-C1'-N19 111.109 2.909 . 0.115 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.429 ' C6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 110.96 2.76 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.429 ' C8 ' ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 111.527 3.327 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.45 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.176 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.518 ' H42' ' H61' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 110.958 2.758 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.536 ' C5 ' ' C4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.112 2.912 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.536 ' C4 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.062 2.862 . 0.022 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C3'-C2'-C1' 104.212 3.013 . 0.451 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.445 ' N4 ' ' C2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.002 0 C5'-C4'-C3' 111.69 -2.54 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.529 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C3'-C2'-C1' 104.13 2.922 . 0.763 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.529 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.179 2.979 . 0.612 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.523 ' N1 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.3 3.1 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.528 ' C2 ' ' C2 ' ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.218 3.018 . 0.059 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . 0.528 ' C2 ' ' C2 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 O4'-C1'-N19 110.881 2.681 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 111.003 2.803 . 0.425 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.432 ' O2 ' ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 O4'-C1'-N19 111.056 2.856 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.422 " O2'" ' OP2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.925 0 C3'-C2'-C1' 104.135 2.928 OUTLIER-EPSILON 0.01 7r . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.451 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.053 0 P-O3'-C3' 124.123 3.686 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.521 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.423 -2.532 1 O4'-C1'-N19 112.648 4.448 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.592 " O4'" ' HE1' ' A' ' 50' ' ' MET . . . . . . . . 0 O4'--C4' 1.429 -2.024 0 C5'-C4'-C3' 111.598 -2.601 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.539 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.816 0 O4'-C1'-N19 111.414 3.214 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.201 0 O4'-C1'-N19 111.265 3.065 . 0.618 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.537 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.071 0 O4'-C1'-N19 111.061 2.861 . 0.286 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 111.204 3.004 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 O4'-C1'-N19 111.073 2.873 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -141.77 83.75 12.67 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.049 -1.032 . . . . 0.0 109.554 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.11 134.0 12.68 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.807 1.671 . . . . 0.0 110.334 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -57.31 143.57 39.19 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 5' ' ' THR . 5.0 t -154.53 60.97 0.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.05 -1.031 . . . . 0.0 109.717 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -89.79 164.73 27.71 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.015 -1.053 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.0 Cg_endo -77.15 117.25 4.36 Favored 'Trans proline' 0 C--N 1.321 -0.868 0 C-N-CA 121.758 1.639 . . . . 0.0 110.258 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.861 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 t30 -102.11 -172.24 2.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 109.648 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.6 t60 -85.65 -37.9 18.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.098 -1.001 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' ILE . 99.1 m -106.92 156.18 18.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.071 . . . . 0.0 110.142 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.463 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 3.3 pt -116.23 161.24 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 25.5 t80 -132.54 137.75 47.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.033 -1.042 . . . . 0.0 109.694 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.26 138.41 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.021 -1.05 . . . . 0.0 109.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -135.17 -171.03 2.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.044 -1.035 . . . . 0.0 109.266 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 59.65 47.07 11.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.903 -1.123 . . . . 0.0 109.425 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -100.86 -177.54 3.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.987 -1.071 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB2' HD11 ' A' ' 20' ' ' ILE . 10.4 m-20 -77.03 153.44 34.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.88 -1.138 . . . . 0.0 109.447 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -103.83 39.81 1.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 109.804 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -151.81 37.13 0.57 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.963 -1.086 . . . . 0.0 109.857 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 17' ' ' ASN . 4.1 mt -111.79 157.14 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.025 -1.047 . . . . 0.0 109.883 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 20' ' ' ILE . 57.6 mttt -91.35 179.59 5.65 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.142 -1.023 . . . . 0.0 108.936 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -37.09 26.89 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.964 -1.085 . . . . 0.0 109.702 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.75 -18.07 60.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.072 -1.018 . . . . 0.0 109.697 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -85.89 -44.44 12.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.587 -1.321 . . . . 0.0 110.271 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.705 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 8.7 tp -70.4 -33.15 71.05 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.855 -1.153 . . . . 0.0 110.217 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -33.8 62.55 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.843 -1.161 . . . . 0.0 109.674 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -68.11 -34.32 76.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.784 -1.197 . . . . 0.0 110.194 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -74.47 -40.04 62.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.726 -1.234 . . . . 0.0 109.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD23 ' HE2' ' A' ' 33' ' ' PHE . 9.9 mt -64.72 -30.23 71.23 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.985 -1.072 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -77.87 -24.97 48.36 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.692 -1.255 . . . . 0.0 111.132 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.09 -37.65 28.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.598 -1.314 . . . . 0.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.03 -55.53 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.901 -1.124 . . . . 0.0 110.921 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 67.1 m-85 -60.19 -31.07 69.79 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.768 -1.207 . . . . 0.0 110.894 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -70.9 -30.25 66.54 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.657 -1.277 . . . . 0.0 111.303 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -50.13 -30.0 10.29 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.593 -1.317 . . . . 0.0 111.144 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -79.1 -53.02 7.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.611 -1.306 . . . . 0.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.35 -146.77 4.41 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -106.62 135.65 47.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.039 -1.271 . . . . 0.0 109.436 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.32 128.24 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.975 -1.078 . . . . 0.0 109.225 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -73.07 -40.91 64.65 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.051 -1.03 . . . . 0.0 109.471 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.37 138.63 0.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.012 -1.055 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 56' ' ' VAL . 57.3 mt -112.01 143.49 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.063 -1.023 . . . . 0.0 109.048 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.17 141.67 51.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.961 -1.087 . . . . 0.0 110.027 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.87 128.24 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 108.985 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.429 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 0.6 OUTLIER -105.25 154.94 19.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.969 -1.082 . . . . 0.0 109.841 -179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.49 38.39 2.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.041 -1.037 . . . . 0.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -100.5 -176.51 3.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.016 -1.052 . . . . 0.0 109.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB2' ' C8 ' ' B' ' 25' ' ' ' G' . 1.3 tt -67.99 -53.25 27.38 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.929 -1.107 . . . . 0.0 109.856 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -67.11 -37.97 84.84 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.592 ' HE1' " O4'" ' B' ' 44' ' ' ' A' . 3.4 mtp -105.46 58.59 0.67 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.938 -1.101 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 1.0 OUTLIER -107.13 139.73 41.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 109.464 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.01 51.69 51.14 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.9 pt20 -168.3 158.1 9.67 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.046 -1.267 . . . . 0.0 110.245 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.07 150.72 25.98 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.931 -1.106 . . . . 0.0 110.179 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 12' ' ' TYR . 49.6 m-85 -108.13 154.23 22.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.086 -1.009 . . . . 0.0 109.103 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 HG12 ' A' ' 42' ' ' ILE . 21.9 t -129.77 124.18 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.121 . . . . 0.0 109.643 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 92' ' ' ILE . 60.6 mt -97.81 117.13 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.285 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 2.3 m-85 -93.68 146.2 24.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.054 -1.029 . . . . 0.0 109.332 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -54.7 -40.43 69.17 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.4 155.56 40.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.033 -1.042 . . . . 0.0 109.223 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 8' ' ' ASN . 58.1 t -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.022 -1.049 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 p -59.97 -37.71 80.39 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.994 -1.066 . . . . 0.0 110.159 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.429 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.886 -1.134 . . . . 0.0 110.377 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.71 -30.01 56.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.764 -1.21 . . . . 0.0 109.872 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -62.7 -37.48 86.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 109.514 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -77.29 -36.39 54.27 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.934 -1.104 . . . . 0.0 109.576 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -75.08 -8.72 57.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.887 -1.133 . . . . 0.0 111.484 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.531 ' CD1' HG22 ' A' ' 83' ' ' ILE . 1.4 tt -100.74 -47.77 4.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.349 -1.469 . . . . 0.0 110.189 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -70.49 -41.68 72.39 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.028 -1.045 . . . . 0.0 109.503 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 -37.6 87.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.082 -1.011 . . . . 0.0 109.484 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.8 mmm -103.23 35.57 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.909 -1.119 . . . . 0.0 109.868 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -70.35 113.5 7.56 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 108.667 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.48 70.12 1.11 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.585 -1.806 . . . . 0.0 108.585 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -118.94 172.31 4.43 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.087 -1.243 . . . . 0.0 109.865 -179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.7 Cg_endo -77.44 140.01 18.87 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.91 1.74 . . . . 0.0 110.474 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.6 t80 -159.36 112.83 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.25 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.705 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 13.9 m-85 60.99 41.92 13.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.0 t70 57.33 63.99 1.72 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.163 -0.961 . . . . 0.0 109.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 179.48 144.1 0.35 Allowed Pre-proline 0 N--CA 1.499 2.025 0 O-C-N 120.921 -1.112 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 126.4 7.69 Favored 'Trans proline' 0 C--N 1.323 -0.765 0 C-N-CA 121.642 1.562 . . . . 0.0 110.018 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.37 135.28 40.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.994 -1.066 . . . . 0.0 110.124 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -104.85 146.72 28.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 108.639 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.4 mt -107.48 136.74 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.006 -1.059 . . . . 0.0 110.284 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.24 133.57 41.01 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.527 ' CE1' HD13 ' A' ' 68' ' ' LEU . 49.5 m-85 -51.43 133.96 29.11 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.805 -1.184 . . . . 0.0 109.816 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -176.91 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.021 -1.049 . . . . 0.0 109.475 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.453 ' HE2' " O2'" ' B' ' 43' ' ' ' C' . 28.1 mtmt -92.3 -44.17 8.88 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.96 -1.088 . . . . 0.0 109.332 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.4 p -104.32 179.65 4.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.032 -1.042 . . . . 0.0 109.459 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.43 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.0 m-20 -93.49 177.59 5.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.07 -1.019 . . . . 0.0 109.463 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.453 ' OG ' HG12 ' A' ' 93' ' ' ILE . 1.7 p -72.64 154.53 40.7 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.097 -1.002 . . . . 0.0 109.419 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.04 -30.74 15.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.03 -1.044 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.714 HD13 HD23 ' A' ' 40' ' ' LEU . 2.0 pp -58.24 -24.59 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.669 -1.27 . . . . 0.0 109.604 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.631 HD13 ' CD1' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -70.76 -42.81 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 120.472 -1.393 . . . . 0.0 107.316 177.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -32.34 34.2 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.236 -0.915 . . . . 0.0 110.145 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' CD ' HG22 ' A' ' 101' ' ' VAL . 19.6 mtmm -79.11 -33.15 44.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.739 -1.226 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.418 ' HE2' ' N ' ' A' ' 96' ' ' MET . 29.8 mmt -66.17 -29.42 69.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -47.53 -35.0 8.29 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.838 -1.164 . . . . 0.0 109.007 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.91 -49.94 0.19 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.1 t -179.51 50.21 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.139 -1.212 . . . . 0.0 110.129 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -91.98 74.36 5.59 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.93 -1.106 . . . . 0.0 109.228 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.475 HG22 ' CD ' ' A' ' 95' ' ' LYS . 85.7 t . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.053 -1.029 . . . . 0.0 109.174 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 O4'-C1'-N19 110.949 2.749 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 111.071 2.871 . 0.519 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.028 2.828 . 0.106 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 110.92 2.72 . 0.234 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.444 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.039 0 O4'-C1'-N19 111.122 2.922 . 0.264 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.451 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.506 3.34 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.426 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.264 3.064 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.403 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 O4'-C1'-N19 111.605 3.405 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.403 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 O4'-C1'-N19 110.997 2.797 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 O4'-C1'-N19 110.813 2.613 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.434 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 O4'-C1'-N19 111.222 3.022 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C3'-C2'-C1' 104.174 2.971 . 0.423 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.434 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C5'-C4'-C3' 111.585 -2.61 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 110.864 2.664 . 0.881 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.001 0 O4'-C1'-N19 111.225 3.025 . 0.628 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.027 2.827 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.116 2.916 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 O4'-C1'-N19 110.9 2.7 . 0.365 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.808 0 O4'-C1'-N19 111.036 2.836 . 0.543 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 111.019 2.819 . 0.146 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.818 0 O4'-C1'-N19 110.9 2.7 . 0.344 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.445 " O2'" ' HG3' ' A' ' 49' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 O4'-C1'-N19 110.839 2.639 . 0.321 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.552 ' N3 ' ' CZ ' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 112.093 -2.271 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.539 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.81 0 O4'-C1'-N19 110.926 2.726 . 0.173 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.539 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O4'-C1'-N19 110.877 2.677 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.998 0 O4'-C1'-N19 111.382 3.182 . 0.388 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 111.381 3.181 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.192 2.992 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.211 3.011 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 O4'-C1'-N19 110.927 2.727 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t 58.68 70.31 1.21 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 120.969 -1.082 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -78.24 162.17 28.58 Favored 'Trans proline' 0 C--N 1.322 -0.847 0 C-N-CA 121.898 1.732 . . . . 0.0 110.354 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.16 -179.1 2.23 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.061 -1.025 . . . . 0.0 109.431 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -126.07 103.09 7.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.01 -1.057 . . . . 0.0 109.524 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.77 151.27 37.5 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.093 -1.005 . . . . 0.0 109.196 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.22 130.83 10.4 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.813 1.675 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.588 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.1 m120 -132.73 -177.02 4.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.061 -1.025 . . . . 0.0 109.405 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -102.49 33.98 2.95 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.9 m -167.95 118.76 0.82 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.934 -1.104 . . . . 0.0 110.024 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.9 pt -83.08 169.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.923 -1.111 . . . . 0.0 109.155 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' CZ ' ' N3 ' ' B' ' 43' ' ' ' C' . 22.2 t80 -137.75 143.62 41.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.0 109.251 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -133.07 147.01 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 109.198 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -143.13 -175.24 4.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.021 -1.049 . . . . 0.0 109.471 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.36 50.28 4.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.934 -1.104 . . . . 0.0 109.372 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 -178.34 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.025 -1.047 . . . . 0.0 109.317 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -92.07 149.49 21.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.582 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.07 37.88 1.77 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -111.43 -55.36 2.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.919 -1.113 . . . . 0.0 109.368 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.014 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -56.1 155.64 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.132 -0.98 . . . . 0.0 108.854 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.72 -166.58 1.51 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 110.137 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -85.38 -35.92 21.05 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.959 -1.088 . . . . 0.0 110.602 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.03 -38.83 86.62 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.948 -1.095 . . . . 0.0 108.56 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CB ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 mm-40 -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.981 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.26 -36.84 43.97 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.113 -0.992 . . . . 0.0 110.499 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -68.57 -42.36 78.41 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.888 -1.132 . . . . 0.0 109.333 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -57.06 -33.25 67.05 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.023 -1.048 . . . . 0.0 110.59 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 74.8 m -75.4 -48.73 21.56 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.718 -1.239 . . . . 0.0 110.434 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 54' ' ' ALA . 52.4 mt -53.38 -33.15 52.62 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.923 -1.111 . . . . 0.0 110.752 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.785 ' CD2' HD12 ' A' ' 39' ' ' ILE . 14.3 t-80 -76.44 -41.38 47.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.776 -1.203 . . . . 0.0 109.929 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.21 68.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.115 -0.991 . . . . 0.0 110.964 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.652 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -83.63 -54.82 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 120.654 -1.278 . . . . 0.0 111.385 -178.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.903 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 18.8 m-85 -95.56 48.17 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.742 -1.224 . . . . 0.0 110.871 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -116.46 -57.37 2.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 109.566 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.52 -33.77 15.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.995 -1.065 . . . . 0.0 110.658 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 8.5 m-85 -56.32 -63.54 1.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.76 -1.212 . . . . 0.0 109.382 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.83 -120.73 1.57 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -130.16 143.35 50.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.013 -1.286 . . . . 0.0 109.487 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.785 HD12 ' CD2' ' A' ' 30' ' ' HIS . 66.2 mt -108.2 112.56 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.046 -1.034 . . . . 0.0 109.55 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 92' ' ' ILE . 1.7 mp -58.43 -41.6 85.4 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.013 -1.055 . . . . 0.0 109.184 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 165.31 1.51 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.073 -1.017 . . . . 0.0 110.635 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 29' ' ' LEU . 51.6 mt -132.25 127.46 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 108.89 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 43' ' ' LEU . 6.8 mp -103.14 141.4 35.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.989 -1.07 . . . . 0.0 110.119 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.0 m -138.99 122.49 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.971 . . . . 0.0 108.839 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.4 OUTLIER -110.89 162.3 14.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.948 -1.095 . . . . 0.0 109.968 -179.461 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.02 34.59 5.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.086 -1.008 . . . . 0.0 110.088 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 p -100.68 170.14 8.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.887 -1.133 . . . . 0.0 108.947 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 5.5 tt -53.82 -59.37 4.71 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.814 -1.179 . . . . 0.0 110.042 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HG3' " O2'" ' B' ' 42' ' ' ' G' . 6.9 ttmt -56.13 -36.76 68.59 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.953 -1.092 . . . . 0.0 109.866 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -99.78 47.25 0.95 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.796 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB2' ' N2 ' ' B' ' 42' ' ' ' G' . 7.9 mtt-85 -110.57 131.2 55.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.888 -1.132 . . . . 0.0 109.344 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.23 40.87 94.96 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -170.86 147.47 2.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.299 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -141.95 178.73 7.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.022 -1.049 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 14.8 m-85 -128.06 139.24 52.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.063 -1.023 . . . . 0.0 109.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 t -123.28 142.7 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.987 -1.07 . . . . 0.0 109.52 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' ILE . 29.4 mt -121.88 147.98 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.037 . . . . 0.0 109.211 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.696 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 95.5 m-85 -123.38 152.86 41.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HA ' HD13 ' A' ' 40' ' ' LEU . 9.2 mtpt -50.21 -39.43 44.27 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.001 -1.062 . . . . 0.0 109.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -125.39 175.79 7.24 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.058 -1.026 . . . . 0.0 109.48 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 8' ' ' ASN . 41.1 t -81.74 -37.42 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.1 -1.0 . . . . 0.0 109.801 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -59.06 -30.57 68.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.011 -1.055 . . . . 0.0 110.599 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -67.83 -36.23 80.01 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.653 -1.28 . . . . 0.0 110.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . . . -73.29 -28.33 62.05 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.841 -1.162 . . . . 0.0 109.637 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' OH ' ' A' ' 85' ' ' TYR . 58.0 m -70.45 -36.98 74.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.057 . . . . 0.0 109.711 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.9 -39.18 76.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.81 -1.181 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.903 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -63.6 -36.0 82.37 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.993 -1.067 . . . . 0.0 110.033 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.658 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -67.85 -41.05 83.51 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.856 -1.152 . . . . 0.0 110.0 -179.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -70.95 -22.08 62.26 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.954 -1.091 . . . . 0.0 111.296 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 p -78.04 -38.14 45.23 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.544 -1.347 . . . . 0.0 110.014 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mmm -110.33 38.7 2.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.49 103.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.92 -1.113 . . . . 0.0 108.903 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.6 64.78 3.81 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -128.48 165.69 29.53 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.055 -1.262 . . . . 0.0 109.441 -179.655 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.0 Cg_endo -78.05 139.64 17.33 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.833 1.689 . . . . 0.0 110.319 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 32' ' ' ILE . 23.3 t80 -134.03 -60.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 109.455 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 1.014 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -112.53 66.76 0.65 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.06 42.34 19.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.022 -1.049 . . . . 0.0 109.77 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.37 156.59 0.83 Allowed Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 121.013 -1.055 . . . . 0.0 110.268 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.42 146.08 24.31 Favored 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.848 1.699 . . . . 0.0 110.128 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.14 138.79 16.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.33 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -102.36 146.32 28.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 108.863 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.658 HG22 ' CD1' ' A' ' 68' ' ' LEU . 65.0 mt -107.48 138.25 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.03 -1.044 . . . . 0.0 110.142 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.74 141.64 38.87 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' OH ' HG23 ' A' ' 65' ' ' THR . 29.1 m-85 -51.69 176.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.797 -1.189 . . . . 0.0 109.926 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.19 170.54 9.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.979 -1.076 . . . . 0.0 109.49 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -92.08 -41.24 10.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 109.447 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 p -96.46 174.46 6.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.097 -1.002 . . . . 0.0 109.41 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -99.11 147.42 25.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.081 -1.012 . . . . 0.0 109.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.473 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 1.1 m -58.47 143.31 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.035 -1.04 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.76 -36.01 43.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.08 -1.013 . . . . 0.0 109.782 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 40' ' ' LEU . 1.8 pp -57.54 -24.79 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.854 -1.154 . . . . 0.0 109.575 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -70.59 -44.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.411 -1.43 . . . . 0.0 107.253 178.005 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB1' ' O ' ' A' ' 100' ' ' PHE . . . -49.12 -42.07 38.05 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.374 -0.829 . . . . 0.0 110.12 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -57.58 -47.71 81.37 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.866 -1.147 . . . . 0.0 109.289 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.413 ' HE3' ' N ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -62.68 172.49 1.62 Allowed 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.484 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.46 16.96 10.56 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -175.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.41 -98.67 0.76 Allowed Glycine 0 N--CA 1.476 1.338 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -178.28 49.39 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.065 -1.256 . . . . 0.0 110.271 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.905 ' O ' ' HB1' ' A' ' 94' ' ' ALA . 52.8 m-85 -79.71 89.51 5.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.016 -1.052 . . . . 0.0 109.109 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 N--CA 1.486 1.352 0 O-C-N 121.023 -1.048 . . . . 0.0 109.347 -179.651 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 110.916 2.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.124 0 O4'-C1'-N19 111.062 2.862 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-C3' 111.666 -2.556 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.436 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 O4'-C1'-N19 110.933 2.733 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.436 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.006 0 O4'-C1'-N19 111.258 3.058 . 0.024 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.448 " C5'" ' OP2' ' B' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.111 0 C3'-C2'-C1' 104.845 3.717 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.51 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C3'-C2'-C1' 104.667 3.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.51 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.076 2.876 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 O4'-C1'-N19 111.363 3.163 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 O4'-C1'-N19 110.963 2.763 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.465 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C3'-C2'-C1' 104.234 3.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . 0.452 ' OP2' ' N4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C3'-C2'-C1' 104.259 3.066 . 0.021 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.547 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 C5'-C4'-C3' 111.436 -2.709 . 0.322 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.553 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C3'-C2'-C1' 104.312 3.124 . 0.312 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.553 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.322 0 O4'-C1'-N19 111.191 2.991 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.515 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 O4'-C1'-N19 111.268 3.068 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.515 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C3'-C2'-C1' 104.088 2.875 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.035 2.835 . 0.355 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.876 0 O4'-C1'-N19 111.054 2.854 . 0.419 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.415 " O2'" ' CD2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.346 3.146 . 0.378 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.992 0 C5'-C4'-C3' 111.471 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 O4'-C1'-N19 110.873 2.673 . 0.505 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.462 ' C2 ' ' CG ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.431 -1.842 0 O4'-C1'-N19 110.836 2.636 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.541 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.611 1.784 0 O4'-C1'-N19 110.91 2.71 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.54 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 O4'-C1'-N19 110.93 2.73 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.023 0 O4'-C1'-N19 111.335 3.135 . 0.444 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.482 3.282 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 111.141 2.941 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C5'-C4'-C3' 111.681 -2.546 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.042 0 O4'-C1'-N19 111.097 2.897 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 2' ' ' VAL . 17.4 m -136.92 75.49 48.45 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 109.509 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -78.04 177.95 8.17 Favored 'Trans proline' 0 C--N 1.323 -0.783 0 C-N-CA 121.879 1.719 . . . . 0.0 110.411 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.59 -37.91 22.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.088 -1.007 . . . . 0.0 109.88 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -90.66 91.52 8.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.026 -1.046 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -56.34 154.16 17.18 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.079 -1.013 . . . . 0.0 109.455 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.05 127.51 8.53 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 121.856 1.704 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 61' ' ' VAL . 24.6 m120 -100.64 -177.7 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.02 -1.05 . . . . 0.0 109.396 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -99.96 25.94 6.86 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.01 -1.056 . . . . 0.0 110.74 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 56' ' ' VAL . 97.3 m -169.7 117.43 0.59 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.671 -1.268 . . . . 0.0 110.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 33' ' ' PHE . 19.5 pt -72.02 172.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.913 -1.117 . . . . 0.0 108.348 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 69.2 t80 -147.54 143.55 27.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.964 -1.085 . . . . 0.0 109.656 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.43 132.17 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 14.1 p-10 -129.18 -178.48 4.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t30 58.97 50.91 7.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.993 -1.067 . . . . 0.0 109.118 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 53' ' ' GLN . 1.5 mp -88.81 -177.23 5.46 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.023 -1.048 . . . . 0.0 109.492 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.79 149.01 24.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.084 -1.01 . . . . 0.0 109.25 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.06 56.07 2.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.008 . . . . 0.0 109.549 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -153.52 38.79 0.49 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.976 -1.077 . . . . 0.0 109.652 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.849 HD12 ' CD2' ' A' ' 77' ' ' TYR . 2.8 mm -105.47 154.66 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.078 -1.014 . . . . 0.0 108.655 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 ttmm -97.02 21.84 9.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.057 -1.027 . . . . 0.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 24.6 mtpt 75.57 -75.11 0.07 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 119.022 0.828 . . . . 0.0 112.258 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.3 -34.46 72.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.411 -1.431 . . . . 0.0 108.288 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.92 -41.45 97.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.967 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.76 HD23 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -55.4 -39.65 70.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.0 -1.062 . . . . 0.0 110.112 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -68.36 -35.25 77.45 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.922 -1.111 . . . . 0.0 110.228 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -26.54 66.03 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.819 -1.176 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' A' ' 76' ' ' PHE . 8.6 t -81.24 -41.98 21.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.689 -1.257 . . . . 0.0 110.426 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 54' ' ' ALA . 29.9 mt -63.4 -49.31 74.31 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.602 ' HD2' HD12 ' A' ' 39' ' ' ILE . 8.2 t-160 -67.13 -15.76 63.91 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.176 -0.953 . . . . 0.0 111.545 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.51 19.45 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.232 -1.543 . . . . 0.0 111.012 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -89.32 -54.83 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 120.72 -1.238 . . . . 0.0 111.473 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 28.2 m-85 -66.32 -36.99 84.32 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.83 -1.169 . . . . 0.0 110.983 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -52.78 -34.23 52.32 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.692 -1.255 . . . . 0.0 110.4 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -50.79 -50.33 56.32 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.625 -1.297 . . . . 0.0 110.058 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -60.12 -56.98 14.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.046 -1.034 . . . . 0.0 109.467 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -148.11 -170.54 16.19 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.09 132.45 33.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.015 -1.285 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' A' ' 30' ' ' HIS . 50.8 mt -90.73 129.66 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.063 -1.023 . . . . 0.0 109.11 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -65.6 -58.82 4.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.127 -0.983 . . . . 0.0 109.472 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.01 144.07 17.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.057 -1.027 . . . . 0.0 110.23 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -115.55 125.4 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -107.98 136.31 47.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.911 -1.118 . . . . 0.0 110.233 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 m -130.49 121.91 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.786 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.444 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.9 t -112.67 156.14 23.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.12 . . . . 0.0 109.921 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -127.64 38.32 4.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.111 -0.993 . . . . 0.0 109.743 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.8 p -85.55 -174.14 5.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 109.176 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 1.4 tt -62.25 -41.33 98.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.929 -1.107 . . . . 0.0 109.514 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -74.57 -39.86 62.01 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.095 -1.003 . . . . 0.0 109.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.19 59.03 2.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.021 -1.049 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 46.95 0.93 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.952 -1.092 . . . . 0.0 109.41 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.27 60.65 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' HA ' HD13 ' A' ' 16' ' ' LEU . 10.5 pt20 -175.92 153.06 1.3 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.098 -1.236 . . . . 0.0 110.105 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -146.33 152.95 39.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.937 -1.102 . . . . 0.0 110.037 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' C8 ' ' B' ' 44' ' ' ' A' . 41.1 m-85 -110.39 137.43 48.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.029 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' CE1' ' A' ' 58' ' ' PHE . 23.4 t -120.62 127.16 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.996 -1.065 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 92' ' ' ILE . 9.7 mt -104.58 149.99 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.991 -1.068 . . . . 0.0 109.109 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m-85 -131.53 140.25 49.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 0.0 109.601 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HD3' HD11 ' A' ' 40' ' ' LEU . 14.4 ttpt -54.49 114.47 1.68 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.129 -0.982 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 59' ' ' LYS . 6.7 tt0 70.25 145.07 0.06 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.193 -0.942 . . . . 0.0 109.722 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ASN . 35.6 t -74.81 93.31 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.138 -0.976 . . . . 0.0 109.205 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -54.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.139 -0.976 . . . . 0.0 109.395 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.415 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 5.7 m -62.55 -40.07 95.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.165 -0.959 . . . . 0.0 108.417 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -66.47 -32.29 73.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 108.199 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.483 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 21.8 m -57.88 -43.2 85.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.531 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.12 -44.53 91.97 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.044 -1.035 . . . . 0.0 108.556 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -51.83 -32.95 33.84 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.104 -0.998 . . . . 0.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.572 HD22 HG22 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.57 -44.08 65.17 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 108.995 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 56.07 1.9 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 109.248 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 -56.56 0.06 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.101 -0.999 . . . . 0.0 110.057 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 74' ' ' PHE . 88.3 mtp -105.2 37.18 2.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.056 -1.028 . . . . 0.0 109.688 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -59.17 102.92 0.14 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.875 -1.141 . . . . 0.0 109.095 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.46 66.01 2.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CB ' ' HE2' ' A' ' 71' ' ' MET . 0.8 OUTLIER -110.22 171.1 4.66 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.25 . . . . 0.0 109.641 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.3 Cg_endo -78.25 143.82 20.21 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.926 1.751 . . . . 0.0 110.625 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.479 ' CZ ' ' OG ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -157.55 109.3 2.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.849 ' CD2' HD12 ' A' ' 20' ' ' ILE . 94.9 m-85 58.01 42.05 23.27 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.38 68.98 0.72 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.019 -1.05 . . . . 0.0 109.748 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.9 144.34 0.29 Allowed Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 120.947 -1.095 . . . . 0.0 109.952 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 131.85 10.46 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.576 1.517 . . . . 0.0 110.106 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -137.61 119.74 15.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.983 -1.073 . . . . 0.0 110.047 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.65 148.72 24.68 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.114 -0.991 . . . . 0.0 108.878 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.572 HG22 HD22 ' A' ' 68' ' ' LEU . 62.3 mt -105.4 135.49 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.177 -0.952 . . . . 0.0 110.345 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.75 136.32 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 29.7 m-85 -49.79 174.45 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.876 -1.14 . . . . 0.0 110.418 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.95 -176.77 5.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' CG ' ' C2 ' ' B' ' 43' ' ' ' C' . 0.0 OUTLIER -92.14 -43.63 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.9 p -115.69 179.72 3.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.994 -1.066 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 62.7 m-20 -81.13 179.04 8.04 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.085 -1.01 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.435 ' HA ' ' N3 ' ' B' ' 45' ' ' ' C' . 1.2 t -94.88 151.96 18.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.041 -1.037 . . . . 0.0 109.816 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.49 -22.74 23.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.049 -1.032 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.901 HD11 HG21 ' A' ' 57' ' ' ILE . 2.7 pt -57.7 -24.23 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.579 -1.326 . . . . 0.0 109.576 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.718 HD13 HG13 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -75.58 -40.59 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.508 -1.37 . . . . 0.0 107.698 178.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.62 -37.08 57.71 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.012 -1.055 . . . . 0.0 109.613 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -70.91 -36.47 72.72 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.807 -1.183 . . . . 0.0 110.68 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.406 ' CE ' ' N ' ' A' ' 96' ' ' MET . 29.8 mmt -64.91 -25.05 67.72 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.396 -0.815 . . . . 0.0 110.598 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -46.88 -34.99 5.9 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.721 -1.237 . . . . 0.0 109.269 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.42 -45.34 0.21 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.6 t -179.08 54.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.976 -1.308 . . . . 0.0 110.264 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -58.42 -41.68 85.53 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.934 -1.104 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 101' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.5 2.027 0 O-C-N 120.862 -1.149 . . . . 0.0 110.158 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.857 0 O4'-C1'-N19 110.994 2.794 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.099 2.899 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 110.9 2.7 . 0.193 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.541 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.965 0 O4'-C1'-N19 110.863 2.663 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.446 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.942 0 O4'-C1'-N19 111.102 2.902 . 0.328 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.452 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-C3' 111.516 -2.656 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.442 ' C8 ' ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.569 3.369 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.469 ' N3 ' ' C2 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 O4'-C1'-N19 111.107 2.907 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 111.116 2.916 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.444 ' O4 ' ' N2 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C3'-C2'-C1' 104.662 3.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C3'-C2'-C1' 104.228 3.031 . 0.106 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.543 ' N1 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.419 -2.721 . 0.384 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.547 ' N2 ' ' C5 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C3'-C2'-C1' 103.924 2.693 . 0.536 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.547 ' C5 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.108 0 O4'-C1'-N19 111.099 2.899 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 O4'-C1'-N19 111.153 2.953 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.469 ' C2 ' ' N3 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.152 2.952 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 O4'-C1'-N19 110.958 2.758 . 0.332 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.838 0 O4'-C1'-N19 110.953 2.753 . 0.437 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.006 0 O4'-C1'-N19 111.321 3.121 . 0.279 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.825 0 O4'-C1'-N19 110.847 2.647 . 0.026 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.462 ' N2 ' ' CB ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 O4'-C1'-N19 110.841 2.641 . 0.086 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.847 0 O4'-C1'-N19 110.866 2.666 . 0.057 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.541 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.738 0 O4'-C1'-N19 110.935 2.735 . 0.055 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.541 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.243 3.043 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.359 3.159 . 0.401 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.094 2.894 . 0.039 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.541 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 O4'-C1'-N19 110.974 2.774 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 O4'-C1'-N19 111.364 3.164 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 O4'-C1'-N19 111.004 2.804 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.9 t -116.82 139.38 25.59 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.06 126.64 7.19 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 121.649 1.566 . . . . 0.0 110.361 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -86.08 -173.35 4.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.064 -1.022 . . . . 0.0 109.537 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -95.5 107.51 19.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -94.48 155.9 39.15 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.002 -1.061 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 36.2 Cg_endo -77.95 109.45 2.72 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 121.847 1.698 . . . . 0.0 110.444 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 109.374 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.703 ' HA ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -56.81 -37.85 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.149 -0.969 . . . . 0.0 109.948 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 56' ' ' VAL . 94.0 m -106.82 153.01 23.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.099 . . . . 0.0 110.215 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.834 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 1.4 pt -113.12 158.56 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 0.0 108.814 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.57 ' O ' HG23 ' A' ' 83' ' ' ILE . 64.7 t80 -125.51 150.02 47.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.064 -1.023 . . . . 0.0 109.773 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.561 HG22 HD21 ' A' ' 16' ' ' LEU . 2.9 mt -132.25 141.42 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 108.979 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 18.5 p-10 -142.71 -176.49 4.89 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.008 -1.057 . . . . 0.0 109.548 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 61.57 43.64 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.938 -1.101 . . . . 0.0 109.289 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 13' ' ' ILE . 28.2 mt -100.33 -171.52 2.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.026 -1.046 . . . . 0.0 109.266 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.52 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.7 m-20 -83.08 152.27 25.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.006 -1.059 . . . . 0.0 109.122 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.23 35.45 2.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -0.999 . . . . 0.0 110.339 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -150.93 35.83 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.882 -1.136 . . . . 0.0 110.108 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.846 HD12 ' CD2' ' A' ' 77' ' ' TYR . 17.9 mm -93.77 154.5 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.861 -1.149 . . . . 0.0 110.071 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -84.13 -178.43 6.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -87.31 -40.7 14.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.996 -1.065 . . . . 0.0 109.092 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -25.77 57.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 108.764 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 41.7 mt-10 -75.96 -45.36 35.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.868 -1.145 . . . . 0.0 110.011 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.729 ' CD1' HG21 ' A' ' 20' ' ' ILE . 6.5 tp -68.3 -31.28 70.6 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.853 -1.154 . . . . 0.0 110.736 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -77.49 -27.1 51.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.7 -1.25 . . . . 0.0 110.359 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -77.32 -28.72 53.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.615 -1.303 . . . . 0.0 110.102 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.6 m -81.05 -39.91 25.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.697 -1.252 . . . . 0.0 110.174 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -55.66 7.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.925 -1.11 . . . . 0.0 109.6 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CA ' HD11 ' A' ' 42' ' ' ILE . 10.2 t-80 -53.31 -27.76 24.73 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.231 -0.918 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.88 -69.63 0.53 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.651 -1.281 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -45.83 -59.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.002 -1.061 . . . . 0.0 112.005 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 32' ' ' ILE . 81.4 m-85 -60.05 -37.93 81.29 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.86 -1.15 . . . . 0.0 110.711 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' HD11 ' A' ' 39' ' ' ILE . 5.7 t -54.41 -36.24 63.76 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.773 -1.204 . . . . 0.0 110.516 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.04 50.52 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.788 -1.195 . . . . 0.0 110.194 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -63.65 -55.8 20.74 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.36 -161.84 10.34 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -88.19 149.33 23.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.042 -1.269 . . . . 0.0 109.208 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD11 ' N ' ' A' ' 34' ' ' SER . 49.3 mt -111.89 116.38 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.92 -40.35 80.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.065 -1.022 . . . . 0.0 109.797 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.22 162.12 0.8 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.008 -1.057 . . . . 0.0 110.488 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' PHE . 27.0 mt -127.41 145.67 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.101 -0.999 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.66 126.35 51.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.99 -1.069 . . . . 0.0 109.729 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 t -118.35 160.59 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.183 -0.948 . . . . 0.0 108.628 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.452 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.0 OUTLIER -145.86 157.28 43.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.962 -1.086 . . . . 0.0 109.823 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -128.38 37.06 4.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.025 -1.047 . . . . 0.0 109.684 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.5 p -103.53 173.89 6.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.962 -1.086 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' HB2' ' C8 ' ' B' ' 25' ' ' ' G' . 2.2 tt -64.02 -58.57 6.32 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 109.763 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -55.78 -42.68 75.88 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.046 -1.034 . . . . 0.0 109.794 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mmm -101.47 62.07 0.93 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.995 -1.066 . . . . 0.0 109.357 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.6 OUTLIER -116.28 128.01 55.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.944 -1.098 . . . . 0.0 109.525 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.89 40.06 31.72 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 16' ' ' LEU . 9.2 pt20 -155.16 151.63 28.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.267 . . . . 0.0 109.885 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.74 153.03 38.74 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.004 -1.06 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 42' ' ' ILE . 34.1 m-85 -113.93 135.55 53.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.002 -1.061 . . . . 0.0 109.388 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 10' ' ' THR . 41.4 t -115.99 132.02 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.892 -1.13 . . . . 0.0 109.31 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.877 HG21 HD11 ' A' ' 92' ' ' ILE . 21.4 mt -104.63 121.54 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-85 -100.13 147.8 25.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.085 -1.009 . . . . 0.0 109.097 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -54.09 -39.31 66.22 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.96 -1.088 . . . . 0.0 109.605 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.66 159.53 34.41 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.08 -1.012 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 9' ' ' HIS . 42.5 t -67.35 -34.8 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.129 -0.982 . . . . 0.0 109.993 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -60.97 -37.92 84.12 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.98 -1.075 . . . . 0.0 109.91 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -34.53 72.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.802 -1.186 . . . . 0.0 110.342 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.834 ' HB1' ' CG2' ' A' ' 11' ' ' ILE . . . -76.83 -29.64 56.0 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.787 -1.196 . . . . 0.0 109.752 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 7.4 m -63.84 -40.79 97.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.842 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.2 -40.86 64.42 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.383 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -25.8 65.48 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.009 -1.057 . . . . 0.0 110.754 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -86.6 -37.89 17.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.543 -1.348 . . . . 0.0 110.456 -179.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -40.22 84.56 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.827 -1.171 . . . . 0.0 109.428 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -85.56 -26.75 25.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.057 -1.027 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.6 mmm -101.28 33.71 2.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.556 -1.34 . . . . 0.0 110.318 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -78.19 98.12 5.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.831 -1.168 . . . . 0.0 108.469 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.5 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -114.48 164.62 15.86 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.269 . . . . 0.0 109.864 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 36.7 Cg_endo -79.89 114.54 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.999 1.799 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -129.91 114.76 16.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.132 -0.98 . . . . 0.0 108.438 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.846 ' CD2' HD12 ' A' ' 20' ' ' ILE . 88.5 m-85 60.05 42.5 15.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.207 -0.933 . . . . 0.0 109.895 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.84 68.97 0.76 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.103 -0.998 . . . . 0.0 110.756 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 tttp 179.34 141.0 0.29 Allowed Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 120.899 -1.126 . . . . 0.0 110.187 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.16 114.97 3.66 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.409 1.406 . . . . 0.0 109.706 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.13 127.4 45.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 0.0 110.485 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.7 146.6 24.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.11 -0.994 . . . . 0.0 108.572 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 12' ' ' TYR . 63.5 mt -105.11 134.86 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.955 -1.091 . . . . 0.0 110.396 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.2 135.31 49.53 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 42.3 m-85 -50.44 137.61 18.68 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 120.852 -1.155 . . . . 0.0 110.134 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 176.0 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.072 -1.018 . . . . 0.0 109.69 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -92.88 -41.65 9.94 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 0.0 109.793 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.9 p -113.04 179.58 3.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.647 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 21.0 m-20 -83.04 -177.6 6.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.078 -1.014 . . . . 0.0 109.203 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -99.96 140.57 34.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.04 -31.34 70.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.182 -0.949 . . . . 0.0 110.455 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 57' ' ' ILE . 1.2 pp -63.26 -25.9 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.696 -1.252 . . . . 0.0 109.257 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.6 mp -70.31 -38.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.57 3.4 52.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.991 -1.068 . . . . 0.0 110.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.77 4.25 4.55 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.35 -1.469 . . . . 0.0 113.995 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.495 ' HG2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -83.83 -40.55 18.55 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.529 -1.357 . . . . 0.0 108.75 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.495 ' N ' ' HG2' ' A' ' 96' ' ' MET . 18.7 mttm -72.3 -20.1 61.56 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 175.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.423 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . 128.77 -47.06 1.04 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 106.594 -2.603 . . . . 0.0 106.594 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 99' ' ' THR . 1.5 t 165.91 91.6 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.771 -0.841 . . . . 0.0 109.719 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.1 t80 45.45 64.4 1.44 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.153 -0.967 . . . . 0.0 111.085 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.022 -1.049 . . . . 0.0 109.11 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 O4'-C1'-N19 110.902 2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.527 ' C6 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 O4'-C1'-N19 110.978 2.778 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.527 ' C4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 O4'-C1'-N19 110.899 2.699 . 0.135 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.517 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 O4'-C1'-N19 110.876 2.676 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.455 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.905 0 O4'-C1'-N19 111.187 2.987 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.459 ' H62' ' HG2' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 O4'-C1'-N19 111.03 2.83 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.438 " C1'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.481 3.281 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.128 0 O4'-C1'-N19 111.676 3.476 . 0.054 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 110.976 2.776 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 110.851 2.651 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.403 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 111.139 2.939 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C3'-C2'-C1' 104.241 3.046 . 0.254 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.403 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.997 0 C5'-C4'-C3' 111.676 -2.549 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 110.889 2.689 . 0.89 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.12 0 O4'-C1'-N19 111.157 2.957 . 0.622 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.187 2.987 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.923 0 O4'-C1'-N19 111.175 2.975 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 O4'-C1'-N19 110.933 2.733 . 0.368 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.768 0 O4'-C1'-N19 111.052 2.852 . 0.326 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.065 2.865 . 0.039 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.44 " O4'" ' C6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-N19 110.99 2.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.454 ' N2 ' ' HB3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C1' 1.438 2.031 0 O4'-C1'-N19 110.746 2.546 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.466 ' C2 ' ' HG2' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.917 0 O4'-C1'-N19 110.857 2.657 . 0.022 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.885 0 O4'-C1'-N19 110.988 2.788 . 0.167 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C5'-C4'-C3' 111.56 -2.627 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 110.957 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.369 3.169 . 0.018 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.517 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.027 2.827 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.198 2.998 . 0.264 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.943 2.743 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 11.0 t -73.47 -46.38 7.54 Favored Pre-proline 0 N--CA 1.499 1.984 0 O-C-N 120.998 -1.064 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.2 Cg_endo -79.15 90.31 1.28 Allowed 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.093 1.195 . . . . 0.0 110.388 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -82.57 -38.84 23.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.959 -1.088 . . . . 0.0 109.772 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 59.27 2.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 109.545 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -61.7 -52.74 66.91 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.991 -1.068 . . . . 0.0 108.489 179.262 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 6' ' ' ARG . 39.6 Cg_endo -85.22 164.71 11.23 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 121.672 1.581 . . . . 0.0 110.76 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.614 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 t-20 -171.5 162.0 6.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.33 -0.856 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.556 ' CG ' HG22 ' A' ' 61' ' ' VAL . 2.1 t-160 -100.82 33.37 2.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.891 -1.131 . . . . 0.0 110.377 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 56' ' ' VAL . 51.1 m -168.66 141.26 2.83 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.812 -1.18 . . . . 0.0 110.125 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 33' ' ' PHE . 45.4 pt -106.36 169.56 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.863 -1.148 . . . . 0.0 108.848 179.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 13.8 t80 -157.09 125.66 5.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 109.904 -178.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG21 ' SD ' ' A' ' 81' ' ' MET . 5.3 mt -106.04 143.32 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.184 -0.948 . . . . 0.0 108.669 179.284 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 29.1 t30 -129.87 48.93 2.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.973 -1.08 . . . . 0.0 109.843 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -147.05 46.26 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.064 -1.022 . . . . 0.0 109.169 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.4 mm? -93.38 179.2 5.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.0 109.541 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -102.24 165.06 11.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.076 -1.015 . . . . 0.0 109.209 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -97.12 48.26 1.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.367 -0.833 . . . . 0.0 109.844 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.27 37.86 0.49 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.906 -1.121 . . . . 0.0 109.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 25' ' ' LEU . 11.4 mm -92.54 158.83 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.022 -1.049 . . . . 0.0 109.477 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -99.97 27.85 5.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt 65.97 -83.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.368 -0.832 . . . . 0.0 112.277 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.99 -27.95 55.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.225 -1.547 . . . . 0.0 108.853 179.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.36 -44.99 85.89 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.036 -1.04 . . . . 0.0 109.528 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.771 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.9 tp -67.51 -16.26 64.11 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.944 -1.098 . . . . 0.0 111.39 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -84.48 -34.11 23.46 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.456 -1.402 . . . . 0.0 109.711 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -71.59 -36.49 70.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.782 -1.199 . . . . 0.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.9 m -76.97 -40.62 46.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.823 -1.173 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 32' ' ' ILE . 16.7 mt -62.68 -30.33 71.31 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.979 -1.076 . . . . 0.0 110.818 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.766 ' CD2' HD12 ' A' ' 39' ' ' ILE . 15.1 t-80 -72.63 -41.28 65.69 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 110.044 -179.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.75 70.73 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.104 -0.997 . . . . 0.0 110.171 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -56.97 -51.08 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.926 -1.109 . . . . 0.0 110.568 -178.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.701 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 29.3 m-85 -96.66 36.88 1.33 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.007 -1.058 . . . . 0.0 111.716 -178.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -111.0 -49.47 3.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.692 -1.255 . . . . 0.0 109.989 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ptm85 -48.21 -28.94 3.31 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.75 -1.218 . . . . 0.0 111.507 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.43 53.68 2.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.586 -1.322 . . . . 0.0 110.85 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.26 -155.82 16.03 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.612 -1.305 . . . . 0.0 110.353 178.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -113.37 150.22 32.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.175 -1.191 . . . . 0.0 109.472 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 30' ' ' HIS . 59.7 mt -102.79 115.37 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.109 -0.995 . . . . 0.0 109.492 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 59' ' ' LYS . 94.9 mt -57.58 -43.66 84.74 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.992 -1.067 . . . . 0.0 109.464 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.01 166.75 1.6 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.024 -1.047 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.47 123.99 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 0.0 109.188 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mp -99.94 134.71 42.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.043 -1.036 . . . . 0.0 109.77 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.4 t -136.1 160.33 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.15 -0.969 . . . . 0.0 108.725 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.7 OUTLIER -157.37 168.6 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.018 -1.051 . . . . 0.0 110.262 -179.74 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HG2' ' H62' ' B' ' 24' ' ' ' A' . 6.5 ptt180 -129.89 39.29 3.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.977 -1.077 . . . . 0.0 109.712 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 p -90.27 -179.86 5.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.953 -1.092 . . . . 0.0 109.393 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' HB2' " C1'" ' B' ' 25' ' ' ' G' . 2.7 tt -67.82 -50.8 54.76 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.998 -1.063 . . . . 0.0 109.485 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.57 -40.0 74.44 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.074 -1.016 . . . . 0.0 109.77 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 mtm -107.27 63.72 0.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.56 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HB3' ' N2 ' ' B' ' 42' ' ' ' G' . 0.5 OUTLIER -104.23 40.44 1.46 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.871 -1.143 . . . . 0.0 109.437 179.686 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.93 55.65 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 9.7 pt20 -170.25 152.97 4.29 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.054 -1.262 . . . . 0.0 109.621 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 29' ' ' LEU . . . -137.08 153.71 50.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.89 -1.131 . . . . 0.0 110.062 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 12' ' ' TYR . 73.6 m-85 -115.63 135.44 54.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.007 -1.058 . . . . 0.0 109.116 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 10' ' ' THR . 60.3 t -126.99 148.54 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.965 -1.084 . . . . 0.0 109.405 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.026 HG21 HD11 ' A' ' 92' ' ' ILE . 36.9 mt -130.04 148.16 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 0.0 109.176 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 27.7 m-85 -120.73 155.9 32.94 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.979 -1.076 . . . . 0.0 109.729 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HA ' HD11 ' A' ' 40' ' ' LEU . 7.8 tttp -54.28 -39.9 67.33 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.005 -1.059 . . . . 0.0 109.439 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -124.13 176.74 6.2 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.137 -0.977 . . . . 0.0 109.23 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 8' ' ' ASN . 48.4 t -81.33 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.6 p -56.7 -30.89 63.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.95 -1.094 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -67.58 -39.28 84.87 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.712 -1.243 . . . . 0.0 110.22 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -72.74 -24.12 60.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.912 -1.117 . . . . 0.0 109.595 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.47 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.2 m -70.03 -40.96 74.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.885 -1.134 . . . . 0.0 109.042 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.09 -42.5 94.01 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.054 -1.029 . . . . 0.0 108.668 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.48 -37.94 68.47 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.972 -1.08 . . . . 0.0 109.433 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 83' ' ' ILE . 1.4 tp -65.08 -40.32 94.46 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.617 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -94.27 55.88 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.892 -1.13 . . . . 0.0 109.472 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -149.3 -60.07 0.22 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.043 -1.036 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.5 mmm -109.88 38.37 2.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.081 -1.012 . . . . 0.0 109.337 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -67.43 109.07 3.04 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.905 -1.122 . . . . 0.0 109.154 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.14 59.9 4.06 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -131.31 157.7 77.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.093 -1.24 . . . . 0.0 109.647 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.89 131.44 10.09 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.965 1.777 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 8.2 t80 -127.62 -59.86 1.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -0.99 . . . . 0.0 109.229 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.688 ' CE2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -112.96 63.71 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.075 -1.016 . . . . 0.0 109.318 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.21 41.33 10.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.985 -1.072 . . . . 0.0 109.739 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -178.66 152.45 0.76 Allowed Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.104 -0.997 . . . . 0.0 110.063 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.4 149.73 27.84 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.731 1.621 . . . . 0.0 110.192 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.474 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.82 147.73 31.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.992 -1.067 . . . . 0.0 110.183 -179.551 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -107.03 156.44 18.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.938 . . . . 0.0 109.534 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.733 HG22 HD12 ' A' ' 68' ' ' LEU . 16.8 mm -109.36 129.52 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.06 -1.025 . . . . 0.0 110.049 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.55 133.11 22.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.975 -1.078 . . . . 0.0 108.807 179.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 19.4 m-85 -53.96 171.14 0.11 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.684 -1.26 . . . . 0.0 109.114 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' CB ' ' N6 ' ' B' ' 44' ' ' ' A' . . . -81.6 -171.09 3.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.008 -1.058 . . . . 0.0 108.958 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 0.0 OUTLIER -80.68 -43.29 20.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.962 -1.086 . . . . 0.0 109.38 -179.874 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -123.65 179.24 4.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.987 -1.071 . . . . 0.0 109.724 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -66.54 -174.14 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.086 -1.008 . . . . 0.0 108.888 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.603 ' OG ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -97.47 144.15 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.944 -1.097 . . . . 0.0 109.065 179.638 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.92 -39.38 87.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.009 -1.057 . . . . 0.0 110.163 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 1.026 HD11 HG21 ' A' ' 57' ' ' ILE . 1.6 pt -58.75 -26.95 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.897 -1.127 . . . . 0.0 110.24 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.603 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.7 mp -76.36 -35.49 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 120.448 -1.407 . . . . 0.0 108.659 178.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 100' ' ' PHE . . . -51.35 -28.41 12.29 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.766 -1.209 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -85.51 -31.66 22.63 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.561 -1.337 . . . . 0.0 111.957 -178.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -38.96 85.39 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.106 -0.996 . . . . 0.0 110.145 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -52.47 -31.19 33.65 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.742 -1.224 . . . . 0.0 108.073 177.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.64 -41.31 0.22 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 178.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.0 t 178.09 -42.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.106 -1.232 . . . . 0.0 110.554 178.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.489 ' O ' ' HB1' ' A' ' 94' ' ' ALA . 1.5 t80 -134.44 -60.85 0.79 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.691 -1.256 . . . . 0.0 109.718 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.5 2.059 0 O-C-N 120.917 -1.114 . . . . 0.0 110.164 -179.656 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.808 0 O4'-C1'-N19 110.972 2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.983 0 O4'-C1'-N19 111.052 2.852 . 0.098 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.022 2.822 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' N6 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 110.94 2.74 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.535 ' C6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.85 0 O4'-C1'-N19 111.243 3.043 . 0.404 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.463 ' H61' ' HE2' ' A' ' 22' ' ' LYS . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 O4'-C1'-N19 111.036 2.836 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.521 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C3'-C2'-C1' 104.621 3.467 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 O4'-C1'-N19 111.78 3.58 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.543 ' C4 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 111.294 3.094 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.359 0 O4'-C1'-N19 111.245 3.045 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.543 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 O4'-C1'-N19 111.042 2.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 C3'-C2'-C1' 104.221 3.023 . 0.392 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.448 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C5'-C4'-C3' 111.669 -2.554 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.448 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 O4'-C1'-N19 110.932 2.732 . 0.879 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.04 0 O4'-C1'-N19 111.08 2.88 . 0.599 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 111.139 2.939 . 0.153 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.019 2.819 . 0.22 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 O4'-C1'-N19 110.988 2.788 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 110.976 2.776 . 0.541 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.437 ' O2 ' ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 O4'-C1'-N19 111.161 2.961 . 0.084 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.462 " C1'" ' C6 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.881 0 O4'-C1'-N19 110.884 2.684 . 0.128 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.462 ' C6 ' " C1'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.028 0 O4'-C1'-N19 110.755 2.555 . 0.0 OUTLIER '7D dist 4g' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.467 ' N4 ' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 110.689 2.489 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.538 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.704 0 O4'-C1'-N19 110.841 2.641 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.538 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C5'-C4'-C3' 111.599 -2.601 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 110.973 2.773 . 0.011 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.575 3.375 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.099 0 O4'-C1'-N19 111.033 2.833 . 0.202 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.396 3.196 . 0.207 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 0 O4'-C1'-N19 110.923 2.723 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.15 72.5 71.49 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.086 -1.009 . . . . 0.0 109.473 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -77.93 135.08 13.76 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.795 1.663 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.79 179.36 0.06 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.994 -1.066 . . . . 0.0 109.401 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.82 -60.91 1.79 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.434 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 2.3 mmm-85 57.9 92.79 0.06 OUTLIER Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.404 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.6 Cg_endo -76.0 144.61 27.25 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 121.634 1.556 . . . . 0.0 110.375 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.1 t-20 -128.32 -70.14 0.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.015 . . . . 0.0 109.917 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER 169.56 -44.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.166 -0.959 . . . . 0.0 109.167 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 56' ' ' VAL . 88.6 m -108.77 118.86 37.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 110.272 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 64' ' ' ALA . 1.5 pt -76.29 171.24 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.954 -1.091 . . . . 0.0 108.608 178.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' OH ' ' NE2' ' A' ' 53' ' ' GLN . 52.8 t80 -136.62 117.71 14.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.95 -1.094 . . . . 0.0 109.964 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 29' ' ' LEU . 6.4 mt -90.01 151.31 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.021 -1.049 . . . . 0.0 108.924 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -141.01 160.34 40.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.046 -1.034 . . . . 0.0 109.746 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.69 49.31 0.4 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.863 -1.148 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -83.51 -177.07 6.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.952 -1.092 . . . . 0.0 109.32 179.576 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -99.52 150.22 22.43 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.018 -1.051 . . . . 0.0 109.96 -179.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -105.59 61.3 0.67 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.131 -0.98 . . . . 0.0 109.474 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.9 -59.31 0.25 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.078 . . . . 0.0 109.55 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.977 HD13 ' CE2' ' A' ' 77' ' ' TYR . 3.5 mp -54.88 155.49 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 O-C-N 121.158 -0.964 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.85 -170.35 3.03 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.225 -179.069 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HE2' ' H61' ' B' ' 24' ' ' ' A' . 4.3 mtmp? -82.82 -36.58 25.41 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.992 -1.067 . . . . 0.0 110.358 -179.4 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.48 -37.99 77.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.9 -1.125 . . . . 0.0 108.683 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.46 -45.59 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.994 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -65.56 -17.8 64.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.267 -0.896 . . . . 0.0 111.13 179.654 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -77.41 -33.44 55.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.473 -1.392 . . . . 0.0 109.636 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.17 -27.7 63.71 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.717 -1.239 . . . . 0.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -81.95 -41.85 20.24 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.708 -1.245 . . . . 0.0 110.628 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD2' HD13 ' A' ' 13' ' ' ILE . 8.0 mt -69.76 -58.79 3.47 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.798 -1.188 . . . . 0.0 109.849 -179.247 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 8.3 t-80 -52.55 -27.49 16.88 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.113 -0.992 . . . . 0.0 111.047 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.3 -69.13 0.52 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.634 -1.291 . . . . 0.0 110.355 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.29 -57.75 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.943 -1.098 . . . . 0.0 111.607 -178.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.8 m-85 -60.39 -37.59 81.26 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.843 -1.16 . . . . 0.0 110.673 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' N ' HD11 ' A' ' 39' ' ' ILE . 6.8 t -55.11 -36.42 65.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.788 -1.195 . . . . 0.0 110.239 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -51.88 -46.11 64.38 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.728 -1.232 . . . . 0.0 110.048 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -52.76 -57.39 10.29 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.964 -1.085 . . . . 0.0 109.716 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.15 -120.25 0.92 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.83 130.63 50.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.244 . . . . 0.0 109.284 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 66.0 mt -95.03 136.72 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.008 -1.058 . . . . 0.0 109.544 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mp -90.56 -41.13 11.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.032 -1.042 . . . . 0.0 109.421 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -161.14 160.17 29.91 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.064 -1.022 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 29' ' ' LEU . 13.2 tt -135.69 157.86 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.094 -1.004 . . . . 0.0 108.821 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 55' ' ' PHE . 4.9 mp -131.17 126.15 34.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.895 -1.128 . . . . 0.0 109.943 -179.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 44' ' ' VAL . 23.5 t -123.16 22.34 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -47.29 144.14 2.99 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.787 -1.196 . . . . 0.0 110.567 -179.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' SER . 16.5 mtm180 -97.81 -75.37 0.55 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 46' ' ' ARG . 79.6 p 47.81 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.955 -1.091 . . . . 0.0 110.164 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' HB2' " C1'" ' B' ' 25' ' ' ' G' . 3.9 tt -81.97 -37.05 27.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.498 -1.376 . . . . 0.0 109.571 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.03 -41.78 70.36 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.931 -1.105 . . . . 0.0 110.098 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 11.0 mmt -93.97 59.02 2.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.898 -1.126 . . . . 0.0 109.404 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' HB3' ' N2 ' ' B' ' 42' ' ' ' G' . 1.1 tpt85 -100.54 46.88 0.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.973 -1.08 . . . . 0.0 109.059 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.38 58.56 0.03 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.657 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.1 pt20 -178.4 171.9 1.55 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.126 -1.22 . . . . 0.0 109.953 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -156.56 173.1 17.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.507 -1.371 . . . . 0.0 110.692 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CE2' ' C4 ' ' B' ' 44' ' ' ' A' . 51.7 m-85 -128.11 113.5 15.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.158 -0.964 . . . . 0.0 108.987 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' THR . 42.0 t -103.79 140.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.889 -1.132 . . . . 0.0 109.446 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.68 HG21 HD11 ' A' ' 92' ' ' ILE . 39.7 mt -119.99 145.77 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.009 -1.057 . . . . 0.0 109.378 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' ALA . 16.5 m-85 -119.86 150.61 40.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.931 -1.105 . . . . 0.0 109.285 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -40.77 70.09 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.019 -1.051 . . . . 0.0 109.476 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.7 164.19 15.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.117 -0.99 . . . . 0.0 109.451 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG22 ' ND1' ' A' ' 9' ' ' HIS . 38.9 t -74.6 -38.7 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.061 -1.024 . . . . 0.0 109.691 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 p -60.3 -34.49 73.85 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.065 -1.022 . . . . 0.0 110.295 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -36.86 77.01 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.832 -1.167 . . . . 0.0 110.338 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.65 -33.15 62.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.827 -1.17 . . . . 0.0 109.367 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.6 HG23 ' OH ' ' A' ' 85' ' ' TYR . 1.7 m -59.48 -38.77 81.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.986 -1.071 . . . . 0.0 109.436 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -36.85 66.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.959 -1.088 . . . . 0.0 109.479 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.64 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -76.15 -7.12 54.07 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.878 -1.139 . . . . 0.0 111.512 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -98.86 -42.97 6.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.328 -1.482 . . . . 0.0 110.292 -179.44 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -76.94 -40.23 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.918 -1.114 . . . . 0.0 109.858 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -63.16 -38.86 92.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.997 -1.065 . . . . 0.0 109.653 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.406 ' HB3' HD11 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -107.29 37.91 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.986 -1.071 . . . . 0.0 109.79 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 98.25 9.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.008 -1.057 . . . . 0.0 109.107 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.41 55.2 2.51 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -123.47 156.41 64.18 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.04 -1.27 . . . . 0.0 109.636 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.68 135.72 14.69 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.824 1.682 . . . . 0.0 110.093 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -137.12 -59.81 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.045 -1.035 . . . . 0.0 109.663 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.977 ' CE2' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -110.62 66.78 0.63 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.029 -1.044 . . . . 0.0 109.825 -179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.3 40.33 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.0 109.907 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 178.72 155.98 0.59 Allowed Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 120.963 -1.085 . . . . 0.0 110.135 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.99 147.49 23.99 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.893 1.729 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -146.57 137.9 24.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.984 -1.073 . . . . 0.0 109.853 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -101.28 150.98 22.42 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.985 . . . . 0.0 109.208 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 68' ' ' LEU . 63.4 mt -112.85 141.82 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.14 -0.975 . . . . 0.0 109.875 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.467 ' NE2' ' N4 ' ' B' ' 43' ' ' ' C' . 19.3 pt20 -146.93 135.78 22.25 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 109.019 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' OH ' HG23 ' A' ' 65' ' ' THR . 30.7 m-85 -48.03 170.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.908 -1.12 . . . . 0.0 110.762 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.15 -170.1 2.94 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.076 -1.015 . . . . 0.0 109.591 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' CG ' " O2'" ' B' ' 43' ' ' ' C' . 12.7 mmtt -87.74 -46.9 9.07 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.18 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.7 p -122.31 179.62 4.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 109.818 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 11.6 m-20 -70.76 -179.31 2.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.091 -1.006 . . . . 0.0 109.208 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.457 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -93.52 156.22 16.87 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.031 -1.043 . . . . 0.0 109.659 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.47 -32.76 23.82 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.011 . . . . 0.0 110.116 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pt -60.26 -27.26 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.719 -1.238 . . . . 0.0 110.254 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.8 mp -79.11 -30.42 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 O-C-N 120.528 -1.357 . . . . 0.0 109.075 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.53 -30.87 14.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.584 -1.322 . . . . 0.0 110.349 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -93.49 -24.37 18.03 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.67 -1.269 . . . . 0.0 111.951 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.454 ' HE3' ' N ' ' A' ' 96' ' ' MET . 28.2 mmt -66.1 -29.34 69.65 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.948 -1.095 . . . . 0.0 110.354 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -35.23 6.04 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.793 -1.192 . . . . 0.0 109.094 178.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.98 -56.44 0.18 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 t 179.81 49.69 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.0 -1.294 . . . . 0.0 110.273 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 13.5 t80 43.92 37.4 1.7 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.12 -0.987 . . . . 0.0 111.275 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.499 2.009 0 O-C-N 120.988 -1.07 . . . . 0.0 110.14 -179.747 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.54 ' N2 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C3'-C2'-C1' 104.233 3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.54 ' C6 ' ' N2 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.626 3.426 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.511 ' N4 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 110.804 2.604 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.511 ' N6 ' ' N4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.972 2.772 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.439 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.843 0 O4'-C1'-N19 111.27 3.07 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.46 ' C6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C3'-C2'-C1' 103.959 2.733 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.54 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 C3'-C2'-C1' 104.426 3.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.54 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 O4'-C1'-N19 111.495 3.295 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 110.958 2.758 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.533 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.198 0 O4'-C1'-N19 111.546 3.346 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.533 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C3'-C2'-C1' 104.175 2.972 . 0.352 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.907 0 C5'-C4'-C3' 111.649 -2.567 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 110.875 2.675 . 0.907 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 O4'-C1'-N19 111.046 2.846 . 0.581 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.427 " O2'" " O4'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.095 2.895 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.427 " O4'" " O2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.078 0 O4'-C1'-N19 111.139 2.939 . 0.24 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.162 2.962 . 0.339 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.893 0 O4'-C1'-N19 111.024 2.824 . 0.291 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.139 2.939 . 0.418 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.415 " O2'" ' OP2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.858 0 O4'-C1'-N19 110.94 2.74 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.432 ' C5 ' ' OE1' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 110.848 2.648 . 0.371 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.967 0 O4'-C1'-N19 110.927 2.727 . 0.017 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.604 ' H61' HG21 ' A' ' 10' ' ' THR . . . . . . . . 0 O4'--C1' 1.438 1.985 0 O4'-C1'-N19 110.923 2.723 . 0.391 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.535 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 O4'-C1'-N19 110.922 2.722 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.973 0 O4'-C1'-N19 111.175 2.975 . 0.365 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.116 2.916 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.549 ' C6 ' ' N4 ' ' B' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C5'-C4'-C3' 111.77 -2.487 . 0.419 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . 0.549 ' N4 ' ' C6 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 111.317 3.117 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.33 3.13 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 2' ' ' VAL . 29.7 m -144.56 63.17 10.51 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.074 -1.017 . . . . 0.0 109.516 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.19 -41.94 0.33 Allowed 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.722 1.615 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.23 -168.65 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.092 -1.005 . . . . 0.0 109.354 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.0 m 58.43 54.83 5.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.971 -1.08 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -50.52 160.38 0.75 Allowed Pre-proline 0 N--CA 1.504 2.239 0 O-C-N 121.001 -1.062 . . . . 0.0 109.966 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.78 112.74 3.35 Favored 'Trans proline' 0 C--N 1.323 -0.786 0 C-N-CA 121.911 1.741 . . . . 0.0 110.522 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -139.31 -168.19 2.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.011 -1.055 . . . . 0.0 108.68 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HD1' HG22 ' A' ' 61' ' ' VAL . 2.0 p-80 -120.79 49.79 1.42 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.805 -1.184 . . . . 0.0 109.268 179.367 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HG13 ' A' ' 57' ' ' ILE . 8.3 m -144.78 86.16 1.79 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 108.954 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 68' ' ' LEU . 26.0 pt -68.26 168.39 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.059 -1.025 . . . . 0.0 109.832 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 46.8 t80 -150.08 138.92 20.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.113 -0.992 . . . . 0.0 109.235 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.8 133.49 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.072 -1.018 . . . . 0.0 109.01 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 9.6 p-10 -129.06 40.06 3.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.154 -0.966 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -141.81 42.56 1.71 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.059 -1.025 . . . . 0.0 109.168 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 3.6 mp -96.28 -178.38 4.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.158 -0.964 . . . . 0.0 109.502 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' HD11 ' A' ' 20' ' ' ILE . 49.6 t30 -77.49 157.82 30.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.026 -1.046 . . . . 0.0 108.989 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.91 35.4 2.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.16 -0.962 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -150.07 35.87 0.67 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.864 -1.148 . . . . 0.0 109.782 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.885 HD12 ' CD2' ' A' ' 77' ' ' TYR . 15.3 mm -95.61 154.21 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.935 -1.103 . . . . 0.0 110.004 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.07 -179.67 7.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -86.16 -39.99 16.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.893 -1.129 . . . . 0.0 109.168 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.34 -27.43 56.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 108.729 178.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 7.1 tt0 -72.78 -45.03 60.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.853 -1.155 . . . . 0.0 110.168 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.739 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.62 -35.43 78.92 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.875 -1.141 . . . . 0.0 110.276 -179.494 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -22.43 59.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.872 -1.143 . . . . 0.0 110.649 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -80.0 -31.86 39.69 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.506 -1.371 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.8 m -77.11 -38.29 52.52 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.712 -1.242 . . . . 0.0 110.21 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.68 -51.91 17.45 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.85 -1.156 . . . . 0.0 109.636 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' OG ' ' A' ' 34' ' ' SER . 2.3 t-80 -53.29 -28.62 28.94 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.122 -0.986 . . . . 0.0 110.764 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.38 -68.46 0.66 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.697 -1.252 . . . . 0.0 110.087 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -44.76 -59.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.967 -1.083 . . . . 0.0 112.346 -178.559 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' HG21 ' A' ' 56' ' ' VAL . 23.6 m-85 -62.88 -40.83 98.74 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.751 -1.218 . . . . 0.0 111.229 -178.589 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 20.3 p -52.34 -33.67 43.83 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.746 -1.221 . . . . 0.0 110.631 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -54.31 -49.85 68.7 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.686 -1.259 . . . . 0.0 109.793 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -55.47 -59.64 4.53 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 109.766 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.72 -148.35 4.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -98.82 144.05 28.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.071 -1.253 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 57' ' ' ILE . 45.3 mt -106.45 136.04 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.087 -1.008 . . . . 0.0 109.199 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 59' ' ' LYS . 92.2 mt -76.36 -42.14 45.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.951 -1.093 . . . . 0.0 109.367 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -176.46 152.85 1.1 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.169 -0.957 . . . . 0.0 110.497 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.438 HG12 HG13 ' A' ' 56' ' ' VAL . 46.5 mt -122.96 130.44 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 108.955 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.01 108.0 17.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.005 -1.059 . . . . 0.0 109.924 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.31 143.63 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.06 -1.025 . . . . 0.0 108.951 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.46 ' HA ' ' C6 ' ' B' ' 24' ' ' ' A' . 1.8 m -125.26 147.2 49.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.875 -1.141 . . . . 0.0 109.82 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -122.82 36.53 4.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 109.888 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.4 p -93.28 176.11 6.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.874 -1.141 . . . . 0.0 109.045 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 1.4 tt -66.22 -56.8 9.54 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.924 -1.11 . . . . 0.0 109.567 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.57 -41.04 89.26 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.035 -1.041 . . . . 0.0 109.369 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.93 60.46 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.95 137.38 40.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 109.52 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 60.96 39.57 97.2 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' OE1' ' C5 ' ' B' ' 42' ' ' ' G' . 21.6 mt-30 -133.28 158.19 43.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.022 -1.281 . . . . 0.0 109.308 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.7 141.06 17.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.988 -1.07 . . . . 0.0 110.478 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.451 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 87.0 m-85 -111.12 141.46 44.59 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.068 -1.02 . . . . 0.0 108.945 179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 33' ' ' PHE . 19.3 t -134.75 126.09 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.927 -1.108 . . . . 0.0 109.175 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.828 HG13 HG23 ' A' ' 10' ' ' THR . 4.6 mp -110.66 157.61 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.05 -1.031 . . . . 0.0 108.512 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.926 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 81.5 m-85 -128.09 155.89 43.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.027 -1.046 . . . . 0.0 109.78 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.3 tttm -44.52 -34.64 2.17 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.473 -0.767 . . . . 0.0 111.459 -178.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -151.49 -174.06 4.71 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.766 -1.209 . . . . 0.0 110.22 -179.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.627 HG22 ' HD1' ' A' ' 9' ' ' HIS . 3.1 t -85.07 87.03 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.242 -0.911 . . . . 0.0 109.257 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -49.45 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.098 -1.001 . . . . 0.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 8.5 t -63.21 -37.43 87.2 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.976 -1.077 . . . . 0.0 109.31 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -71.6 -37.23 70.99 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.809 -1.182 . . . . 0.0 108.4 178.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 16.2 m -55.66 -37.98 68.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -0.955 . . . . 0.0 109.92 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -73.79 -36.06 64.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.966 -1.084 . . . . 0.0 109.523 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -74.95 -8.41 56.42 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.799 -1.188 . . . . 0.0 111.108 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -99.29 -37.15 9.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.351 -1.468 . . . . 0.0 110.658 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -83.35 -31.75 26.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.753 -1.217 . . . . 0.0 110.93 -179.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.49 24.77 6.27 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.744 -1.222 . . . . 0.0 111.356 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 10.1 mtp -147.05 40.59 1.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.546 -1.346 . . . . 0.0 109.661 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.62 102.41 12.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.982 -1.074 . . . . 0.0 109.139 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.26 56.57 2.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -99.65 163.57 18.25 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.169 -1.195 . . . . 0.0 109.591 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.76 124.68 6.35 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 122.058 1.839 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -147.55 107.49 4.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 109.179 179.787 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.885 ' CD2' HD12 ' A' ' 20' ' ' ILE . 95.0 m-85 59.08 44.29 16.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 0.0 109.693 -179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.61 65.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -179.95 142.41 0.35 Allowed Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.919 -1.113 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -78.72 125.08 6.56 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 121.63 1.553 . . . . 0.0 109.837 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.48 135.43 51.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.963 -1.086 . . . . 0.0 110.138 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -103.86 150.66 23.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.129 -0.982 . . . . 0.0 109.064 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' HG ' ' A' ' 68' ' ' LEU . 64.2 mt -111.16 138.48 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 0.0 110.273 -179.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.531 ' C ' HD11 ' A' ' 68' ' ' LEU . 21.7 pt20 -149.43 136.59 19.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -0.924 . . . . 0.0 108.855 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 17.3 m-85 -48.73 166.43 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.88 -1.137 . . . . 0.0 110.185 -179.263 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.2 176.3 7.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.003 -1.06 . . . . 0.0 109.52 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -80.23 -49.02 12.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.123 -0.985 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.8 p -106.91 179.72 4.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.125 -0.984 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.434 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 11.3 m-20 -89.24 179.53 6.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.053 -1.03 . . . . 0.0 109.234 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 4.8 t -86.43 156.44 20.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.014 -1.054 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -75.99 -29.69 58.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.01 -1.056 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.624 ' CD1' HD13 ' A' ' 93' ' ' ILE . 2.0 pp -60.3 -24.27 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.729 -1.232 . . . . 0.0 109.189 178.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.637 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -71.94 -39.35 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.477 -1.389 . . . . 0.0 107.805 177.696 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.96 63.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.174 -0.954 . . . . 0.0 110.131 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -84.87 -21.45 29.76 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.626 -1.296 . . . . 0.0 112.182 -179.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 39.3 mmt -64.38 -34.82 79.04 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.848 -1.157 . . . . 0.0 109.822 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.51 -36.49 10.37 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.991 -1.068 . . . . 0.0 109.28 179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' HG22 ' A' ' 99' ' ' THR . . . 157.0 77.03 0.02 OUTLIER Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 178.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.406 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.0 t 38.66 44.98 0.85 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.754 -0.85 . . . . 0.0 111.379 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 45.2 91.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.182 -0.948 . . . . 0.0 111.096 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.499 2.007 0 O-C-N 120.959 -1.088 . . . . 0.0 110.24 -179.745 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 O4'-C1'-N19 110.967 2.767 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 111.025 2.825 . 0.386 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 110.973 2.773 . 0.128 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.445 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.013 0 O4'-C1'-N19 110.909 2.709 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.462 ' O6 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 O4'-C1'-N19 111.244 3.044 . 0.044 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.486 ' C2 ' ' HB2' ' A' ' 46' ' ' ARG . . . . . . . . 0 O4'--C1' 1.438 1.989 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.534 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C3'-C2'-C1' 104.289 3.099 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.534 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.161 2.961 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 O4'-C1'-N19 110.984 2.784 . 0.328 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.274 0 O4'-C1'-N19 111.533 3.333 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.049 2.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C3'-C2'-C1' 104.193 2.993 . 0.3 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.044 0 C5'-C4'-C3' 111.663 -2.558 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 110.926 2.726 . 0.899 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.104 2.904 . 0.606 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 111.063 2.863 . 0.074 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.993 0 O4'-C1'-N19 111.107 2.907 . 0.273 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.16 2.96 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.814 0 O4'-C1'-N19 110.996 2.796 . 0.462 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.52 " O2'" ' N2 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.185 2.985 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 C5'-C4'-C3' 111.495 -2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.52 ' N2 ' " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 110.865 2.665 . 0.015 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.439 HO2' ' P ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 P--O5' 1.61 1.735 0 O4'-C1'-N19 110.903 2.703 . 0.076 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.439 ' P ' HO2' ' B' ' 43' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.874 2.674 . 0.04 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.452 ' N3 ' ' HB2' ' A' ' 91' ' ' ASP . . . . . . . . 0 O4'--C1' 1.439 2.058 0 O4'-C1'-N19 111.533 3.333 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.089 0 O4'-C1'-N19 111.481 3.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.594 3.394 . 0.118 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.429 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.07 0 O4'-C1'-N19 111.053 2.853 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 O4'-C1'-N19 111.367 3.167 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 110.916 2.716 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 2' ' ' VAL . 17.3 m -147.14 77.34 10.89 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.001 -1.062 . . . . 0.0 109.805 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.12 -51.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 121.774 1.649 . . . . 0.0 110.374 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -89.7 124.72 34.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.975 . . . . 0.0 109.509 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.78 76.13 1.38 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.028 -1.045 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -60.54 142.42 91.14 Favored Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 120.993 -1.067 . . . . 0.0 108.851 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.3 Cg_endo -78.88 110.71 2.84 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.573 1.515 . . . . 0.0 110.443 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.3 m120 -103.72 -175.22 2.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.063 -1.023 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.9 t60 -102.4 36.26 2.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.032 -1.042 . . . . 0.0 109.869 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 90' ' ' SER . 60.4 m -167.29 109.03 0.64 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.853 -1.154 . . . . 0.0 109.981 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.695 HG23 ' HB1' ' A' ' 64' ' ' ALA . 27.7 pt -77.0 164.67 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.911 -1.118 . . . . 0.0 109.527 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 40.3 t80 -139.98 148.13 41.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.967 . . . . 0.0 109.111 -179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 16' ' ' LEU . 3.1 mt -128.55 143.7 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.377 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.01 -176.94 4.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.037 -1.039 . . . . 0.0 109.415 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.94 45.09 15.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.867 -1.145 . . . . 0.0 109.254 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 13' ' ' ILE . 4.9 mp -92.29 -176.14 4.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.053 -1.029 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -84.11 152.76 24.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.005 -1.059 . . . . 0.0 109.368 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.55 49.3 0.98 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 0.0 109.712 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -152.14 37.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.007 -1.058 . . . . 0.0 109.935 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 25' ' ' LEU . 13.2 mm -91.68 155.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -100.98 27.58 5.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.917 . . . . 0.0 111.333 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 69.1 -82.56 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.467 -0.77 . . . . 0.0 112.032 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.52 -27.06 62.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.358 -1.464 . . . . 0.0 108.806 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.97 -43.5 92.44 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.003 -1.061 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.783 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.5 tp -67.48 -18.5 65.09 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.869 -1.144 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -81.69 -35.75 29.49 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.46 -1.4 . . . . 0.0 109.872 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -71.13 -36.42 72.11 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.815 -1.178 . . . . 0.0 109.865 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -74.65 -38.68 62.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.863 -1.148 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 25' ' ' LEU . 13.7 mt -65.37 -31.01 71.9 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.929 -1.107 . . . . 0.0 110.542 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -70.04 -26.47 64.05 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.749 -1.22 . . . . 0.0 111.149 -179.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -47.22 10.72 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.55 -1.344 . . . . 0.0 110.48 -179.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -60.81 -49.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 120.904 -1.122 . . . . 0.0 110.664 -179.016 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' C ' HD11 ' A' ' 39' ' ' ILE . 55.2 m-85 -91.24 23.7 3.22 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.036 -1.04 . . . . 0.0 112.665 -178.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -102.64 -44.99 5.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.34 -1.475 . . . . 0.0 110.225 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -47.05 -32.56 4.12 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.842 -1.161 . . . . 0.0 110.926 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 67' ' ' ALA . 59.6 m-85 -56.46 -64.18 0.95 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.76 -1.212 . . . . 0.0 109.923 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.54 61.36 0.15 Allowed Glycine 0 N--CA 1.5 2.924 0 C-N-CA 119.466 -1.349 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 61.44 148.83 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.388 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 42' ' ' ILE . 44.5 mt -119.0 143.45 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.007 -1.058 . . . . 0.0 108.995 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' CD2' HD12 ' A' ' 92' ' ' ILE . 7.3 mp -86.0 -63.05 1.38 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.877 -179.749 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.78 155.69 42.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.839 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 39' ' ' ILE . 64.4 mt -141.94 113.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.406 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.71 167.99 12.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.115 -0.991 . . . . 0.0 109.3 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.65 -178.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.966 -1.084 . . . . 0.0 109.101 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -54.17 175.67 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.898 -1.126 . . . . 0.0 109.533 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB2' ' C2 ' ' B' ' 24' ' ' ' A' . 0.0 OUTLIER 179.29 48.21 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.989 -1.069 . . . . 0.0 110.667 -179.352 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 3.5 p 157.54 175.53 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.836 0 O-C-N 121.445 -0.785 . . . . 0.0 109.336 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD12 ' C4 ' ' B' ' 25' ' ' ' G' . 1.1 tt -66.21 -52.16 50.64 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.899 -1.126 . . . . 0.0 109.785 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -49.12 -36.75 19.74 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.045 -1.034 . . . . 0.0 110.633 -179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mmm -102.41 62.49 0.86 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.898 -1.126 . . . . 0.0 109.655 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HB3' ' H22' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -101.88 57.79 0.83 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 109.38 179.741 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.03 59.69 0.02 OUTLIER Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 1.3 pm0 -175.02 155.3 1.97 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.044 -1.268 . . . . 0.0 110.157 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.4 7.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.037 -1.039 . . . . 0.0 109.872 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -135.53 127.74 30.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.0 109.132 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 61.0 t -122.92 137.21 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.797 ' CG2' HD11 ' A' ' 92' ' ' ILE . 3.7 mt -122.6 126.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.111 -0.993 . . . . 0.0 108.695 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 33' ' ' PHE . 67.5 m-85 -96.65 159.91 14.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.944 -1.097 . . . . 0.0 109.517 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 40' ' ' LEU . 23.3 tttt -56.98 -40.17 76.03 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.044 -1.035 . . . . 0.0 109.234 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.77 172.12 7.74 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.1 -1.0 . . . . 0.0 109.365 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 8' ' ' ASN . 42.0 t -81.3 -35.94 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.109 -0.995 . . . . 0.0 109.855 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.8 p -58.72 -36.61 74.56 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.905 -1.122 . . . . 0.0 110.132 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -37.15 83.06 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 120.812 -1.18 . . . . 0.0 110.211 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -71.41 -28.69 64.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.866 -1.146 . . . . 0.0 109.336 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.478 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 23.9 m -65.66 -41.08 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.94 -1.1 . . . . 0.0 109.43 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.46 -42.18 92.6 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 108.821 179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -55.5 -36.32 66.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.062 -1.024 . . . . 0.0 109.756 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HG22 ' A' ' 83' ' ' ILE . 1.3 tp -69.61 -38.24 77.17 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.918 -1.114 . . . . 0.0 109.774 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -92.36 13.23 20.04 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.928 -1.108 . . . . 0.0 111.367 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.64 -51.24 3.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.408 -1.432 . . . . 0.0 109.308 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mtp -110.12 39.99 2.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.045 . . . . 0.0 109.402 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 112.75 1.59 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.27 65.44 3.37 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -127.5 160.1 62.19 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.084 -1.245 . . . . 0.0 109.675 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.19 133.83 12.45 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.865 1.71 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.48 ' CE1' HD13 ' A' ' 32' ' ' ILE . 18.5 t80 -125.1 -60.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 108.996 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.682 ' CD2' HD12 ' A' ' 20' ' ' ILE . 3.0 m-85 -115.76 64.37 0.69 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.02 -1.05 . . . . 0.0 109.094 179.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 61.97 44.76 7.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.926 -1.109 . . . . 0.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.34 146.11 0.53 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.082 -1.011 . . . . 0.0 110.021 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -76.87 148.08 27.9 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.611 1.541 . . . . 0.0 110.093 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.43 ' SD ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -151.27 138.18 19.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 110.421 -179.535 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 150.89 20.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 108.684 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 68' ' ' LEU . 63.3 mt -110.18 136.61 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.531 -179.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -133.03 140.36 47.69 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 7.1 m-85 -51.42 172.92 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.873 -1.142 . . . . 0.0 109.696 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -89.71 172.12 9.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.001 -1.062 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' HG3' ' C2 ' ' B' ' 43' ' ' ' C' . 0.2 OUTLIER -91.92 -43.18 9.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.989 -1.069 . . . . 0.0 109.167 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 p -109.86 179.37 4.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 1.8 m-20 -94.96 167.34 11.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.027 -1.046 . . . . 0.0 109.196 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.444 ' HB2' ' OG1' ' A' ' 10' ' ' THR . 1.7 t -94.22 165.95 12.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' HB2' ' N3 ' ' B' ' 45' ' ' ' C' . 27.2 t70 -98.55 -13.49 20.41 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.04 -1.038 . . . . 0.0 111.412 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.797 HD11 ' CG2' ' A' ' 57' ' ' ILE . 2.5 pt -57.02 -24.31 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.346 -1.471 . . . . 0.0 109.647 178.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.709 HD13 HG13 ' A' ' 92' ' ' ILE . 1.2 mm -75.88 -42.5 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.571 -1.331 . . . . 0.0 107.6 178.393 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.14 -37.82 16.42 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.25 -0.906 . . . . 0.0 110.288 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -62.58 -49.11 76.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.869 -1.144 . . . . 0.0 109.542 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -59.26 175.95 0.27 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.646 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 96' ' ' MET . 3.6 ttpt 92.9 -49.77 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -176.32 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.409 ' C ' HG22 ' A' ' 99' ' ' THR . . . 166.45 61.55 0.03 OUTLIER Glycine 0 N--CA 1.485 1.921 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.2 t 38.85 57.94 1.81 Allowed 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.749 -0.853 . . . . 0.0 111.268 -179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 46.43 -169.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.105 -0.997 . . . . 0.0 110.85 179.149 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.025 -1.047 . . . . 0.0 109.094 -179.857 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 O4'-C1'-N19 110.878 2.678 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.869 0 O4'-C1'-N19 110.963 2.763 . 0.337 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.419 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 111.008 2.808 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.509 ' N3 ' ' N2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 O4'-C1'-N19 110.914 2.714 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.487 ' C5 ' ' C6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.212 3.012 . 0.074 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.54 ' C2 ' ' C4 ' ' B' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.378 3.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.477 " O4'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C3'-C2'-C1' 104.494 3.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.459 3.259 . 0.036 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 110.953 2.753 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.541 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.35 0 O4'-C1'-N19 111.454 3.254 . 0.178 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.541 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.111 2.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C3'-C2'-C1' 104.185 2.983 . 0.424 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.44 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C5'-C4'-C3' 111.66 -2.56 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.44 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 110.961 2.761 . 0.889 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 111.101 2.901 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.025 2.825 . 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.039 2.839 . 0.233 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.187 2.987 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.738 0 O4'-C1'-N19 111.121 2.921 . 0.499 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.494 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 O4'-C1'-N19 111.053 2.853 . 0.055 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.11 0 C5'-C4'-C3' 111.453 -2.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 110.85 2.65 . 0.484 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.466 ' C2 ' ' HG2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.944 0 C5'-C4'-C3' 111.608 -2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.416 ' N1 ' ' C4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.902 0 O4'-C1'-N19 111.115 2.915 . 0.068 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.473 ' H42' ' HA ' ' A' ' 90' ' ' SER . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C5'-C4'-C3' 111.626 -2.583 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . 0.54 ' C4 ' ' C2 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.15 2.95 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.392 3.192 . 0.086 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.509 ' N2 ' ' N3 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 O4'-C1'-N19 111.022 2.822 . 0.114 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.345 3.145 . 0.235 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 110.828 2.628 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.5 p -142.87 62.88 12.79 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.09 -42.57 0.29 Allowed 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 121.85 1.7 . . . . 0.0 110.512 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.02 179.91 0.08 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.214 -0.929 . . . . 0.0 109.265 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.08 98.66 3.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.97 -1.081 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -97.54 148.08 33.92 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.071 -1.018 . . . . 0.0 109.071 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.5 142.01 18.16 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 121.591 1.527 . . . . 0.0 110.491 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 61' ' ' VAL . 20.8 m120 -142.64 178.35 7.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.084 -1.01 . . . . 0.0 109.301 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.57 32.11 3.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.071 . . . . 0.0 110.252 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 56' ' ' VAL . 90.4 m -168.36 127.96 1.22 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.942 -1.099 . . . . 0.0 109.876 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CE1' ' A' ' 33' ' ' PHE . 1.2 pp -90.18 171.65 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.927 -1.108 . . . . 0.0 108.99 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 21.5 t80 -147.98 121.47 9.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.995 -1.065 . . . . 0.0 109.652 -178.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.1 mt -109.8 141.76 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.983 -1.073 . . . . 0.0 109.365 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -138.08 -174.01 3.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.048 -1.032 . . . . 0.0 109.654 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 60.4 43.58 13.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.025 -1.047 . . . . 0.0 109.403 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 53' ' ' GLN . 19.6 mt -93.52 -179.64 5.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -75.94 153.15 36.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.044 -1.035 . . . . 0.0 109.523 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -101.6 50.31 0.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.0 109.634 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -153.73 39.67 0.49 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.009 -1.057 . . . . 0.0 109.665 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 25' ' ' LEU . 4.1 mt -109.31 159.08 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 108.954 -179.338 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.9 mmmt -112.22 29.83 7.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.001 -1.079 . . . . 0.0 112.721 -178.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 81.05 -67.02 0.12 Allowed 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 118.915 0.779 . . . . 0.0 112.171 178.21 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -56.86 -27.79 60.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.561 -1.337 . . . . 0.0 109.184 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' HB3' HG23 ' A' ' 20' ' ' ILE . 1.6 tt0 -65.97 -46.69 77.19 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.127 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.84 ' HG ' HG21 ' A' ' 20' ' ' ILE . 82.8 mt -67.91 -14.73 63.2 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.961 -1.087 . . . . 0.0 111.362 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -89.02 -26.77 21.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.298 -1.501 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -80.39 -31.62 37.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.57 -1.331 . . . . 0.0 109.528 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.2 m -87.83 -38.2 15.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.811 -1.18 . . . . 0.0 110.129 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.43 -51.33 15.23 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.894 -1.129 . . . . 0.0 109.393 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.55 -27.89 41.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.023 -1.048 . . . . 0.0 110.53 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -79.17 -69.42 0.58 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.595 -1.316 . . . . 0.0 110.162 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -47.01 -59.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.869 -1.144 . . . . 0.0 112.179 -178.488 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 32' ' ' ILE . 83.9 m-85 -60.38 -34.21 73.56 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.721 -1.237 . . . . 0.0 111.398 -178.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.518 ' N ' HD11 ' A' ' 39' ' ' ILE . 30.1 p -62.65 -32.0 72.96 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.648 -1.283 . . . . 0.0 110.767 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -35.47 18.71 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.63 -1.294 . . . . 0.0 110.624 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD1' ' OD1' ' A' ' 66' ' ' ASN . 82.8 m-85 -93.01 63.83 3.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.833 -1.167 . . . . 0.0 109.994 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.11 -139.51 14.44 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -129.85 149.49 51.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.093 -1.24 . . . . 0.0 109.553 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.518 HD11 ' N ' ' A' ' 34' ' ' SER . 38.3 mt -101.0 119.71 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.06 -43.17 91.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.032 -1.043 . . . . 0.0 109.122 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.75 161.15 0.97 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.283 -0.886 . . . . 0.0 110.276 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.95 129.35 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.26 117.5 34.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.968 -1.082 . . . . 0.0 109.887 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 25' ' ' LEU . 7.2 t -113.51 160.57 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 108.594 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.462 ' HA ' ' H62' ' B' ' 24' ' ' ' A' . 0.7 OUTLIER -149.82 169.53 20.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.914 -1.116 . . . . 0.0 110.149 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -136.39 39.69 2.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 0.0 109.68 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.4 p -89.29 176.28 7.0 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.984 -1.072 . . . . 0.0 108.728 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD21 " O2'" ' B' ' 40' ' ' ' U' . 1.8 tt -59.0 -57.43 13.1 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.929 -1.107 . . . . 0.0 109.479 -179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -59.64 -40.63 88.3 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.077 -1.014 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.402 ' HG3' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -98.81 59.16 1.21 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.969 -1.082 . . . . 0.0 109.309 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 54.79 0.82 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.67 60.25 0.06 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.3 pt20 -176.86 153.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.055 -1.262 . . . . 0.0 110.091 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.17 10.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.947 -1.096 . . . . 0.0 110.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 32.1 m-85 -126.85 144.02 51.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.104 -0.998 . . . . 0.0 109.186 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 10' ' ' THR . 24.4 t -122.22 143.57 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.05 -1.031 . . . . 0.0 109.692 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.641 ' CG2' HD11 ' A' ' 93' ' ' ILE . 11.3 mt -111.59 147.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.031 -1.043 . . . . 0.0 108.787 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 71.4 m-85 -126.92 146.09 50.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.005 . . . . 0.0 109.731 -179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -49.84 -39.23 38.28 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.046 -1.034 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -129.32 167.43 17.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.098 -1.002 . . . . 0.0 109.266 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 8' ' ' ASN . 44.0 t -72.8 -38.5 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.085 -1.009 . . . . 0.0 109.624 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -61.04 -35.99 78.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.005 -1.059 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 m -56.8 -36.51 69.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.756 -1.215 . . . . 0.0 110.397 -179.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . . . -74.56 -32.92 62.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.142 . . . . 0.0 109.414 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.631 HG23 ' OH ' ' A' ' 85' ' ' TYR . 2.2 m -60.16 -38.91 84.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.01 -1.056 . . . . 0.0 109.854 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' OD1' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -73.29 -38.49 65.86 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 109.446 179.83 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -70.11 -13.27 62.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.903 -1.123 . . . . 0.0 111.398 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -94.87 -40.37 9.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.351 -1.468 . . . . 0.0 110.289 -179.229 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -68.72 -39.69 80.29 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.918 -1.114 . . . . 0.0 109.869 -179.673 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 m -67.15 -37.52 83.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.997 -1.064 . . . . 0.0 109.788 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' ILE . 94.6 mmm -105.5 36.39 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.896 -1.127 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -73.39 108.74 6.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.819 -1.175 . . . . 0.0 108.941 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.42 73.8 0.46 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -121.69 162.98 33.73 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.044 -1.268 . . . . 0.0 109.906 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.39 115.5 3.18 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.121 1.88 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -140.05 130.4 25.31 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.017 -1.052 . . . . 0.0 108.483 179.538 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CD2' HG12 ' A' ' 20' ' ' ILE . 10.5 m-85 59.77 38.68 21.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.94 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 54.57 64.59 1.76 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.899 -1.126 . . . . 0.0 110.368 179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tttt 179.12 143.72 0.33 Allowed Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 120.776 -1.202 . . . . 0.0 110.079 179.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.61 117.95 4.42 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.502 1.468 . . . . 0.0 109.787 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -126.46 127.14 44.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.989 -1.07 . . . . 0.0 110.232 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -96.59 149.44 21.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.118 -0.989 . . . . 0.0 108.693 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.7 mt -107.41 137.49 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.079 -1.013 . . . . 0.0 110.268 -179.397 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.47 141.14 37.4 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.631 ' OH ' HG23 ' A' ' 65' ' ' THR . 18.2 m-85 -52.55 177.71 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.803 -1.186 . . . . 0.0 109.867 -179.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.13 -179.64 4.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.971 -1.081 . . . . 0.0 109.54 -179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 0.2 OUTLIER -82.54 -52.46 6.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.118 -0.989 . . . . 0.0 108.754 179.836 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -117.81 179.8 3.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.119 -0.988 . . . . 0.0 109.22 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 177.38 8.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.04 -1.038 . . . . 0.0 109.097 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.473 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.1 OUTLIER -80.44 165.51 22.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.948 -1.095 . . . . 0.0 109.179 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -34.37 34.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 -179.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.809 HG22 ' CE2' ' A' ' 100' ' ' PHE . 39.7 pt -63.51 -37.18 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.809 -1.182 . . . . 0.0 109.882 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 57' ' ' ILE . 3.2 mp -63.14 -32.36 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.817 -1.177 . . . . 0.0 108.446 178.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.84 -54.67 14.28 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.847 -1.158 . . . . 0.0 110.817 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 50.8 mttm -98.13 1.72 47.81 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 120.059 -0.657 . . . . 0.0 112.095 -177.369 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 40.0 mmm -73.67 -23.15 59.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 108.744 178.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -48.91 -35.46 14.95 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 175.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.15 -80.85 0.85 Allowed Glycine 0 N--CA 1.478 1.486 0 N-CA-C 108.03 -2.028 . . . . 0.0 108.03 176.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 99' ' ' THR . 4.9 t -154.46 93.28 1.58 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.013 -1.286 . . . . 0.0 110.788 179.369 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CE2' HG22 ' A' ' 92' ' ' ILE . 69.1 t80 -66.55 108.95 2.6 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.782 -1.199 . . . . 0.0 108.605 178.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.0 109.063 -179.921 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 110.865 2.665 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 O4'-C1'-N19 110.998 2.798 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.461 " O2'" " C5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 O4'-C1'-N19 110.91 2.71 . 0.282 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.461 " C5'" " O2'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 110.935 2.735 . 0.066 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.443 ' C6 ' ' C5 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 111.317 3.117 . 0.088 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.515 ' N6 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 C3'-C2'-C1' 104.575 3.417 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.504 " O2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C3'-C2'-C1' 104.55 3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.529 ' C5 ' ' C5 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 O4'-C1'-N19 110.979 2.779 . 0.088 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.529 ' C5 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 O4'-C1'-N19 111.165 2.965 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C5'-C4'-C3' 111.655 -2.563 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.437 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.137 2.937 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C3'-C2'-C1' 104.217 3.019 . 0.329 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.437 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.043 0 C5'-C4'-C3' 111.638 -2.575 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.476 ' N2 ' ' N7 ' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 O4'-C1'-N19 110.87 2.67 . 0.718 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.476 ' N7 ' ' N2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.11 0 O4'-C1'-N19 111.183 2.983 . 0.654 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.529 ' C6 ' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.144 2.944 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.529 ' N6 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 O4'-C1'-N19 111.129 2.929 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.169 0 O4'-C1'-N19 111.109 2.909 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.432 ' N1 ' ' HD3' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.943 0 O4'-C1'-N19 110.917 2.717 . 0.572 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.652 " O2'" HD21 ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.43 -1.955 0 O4'-C1'-N19 111.13 2.93 . 0.337 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.025 0 C5'-C4'-C3' 111.555 -2.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 110.86 2.66 . 0.258 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.879 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.544 ' C8 ' ' CZ ' ' A' ' 55' ' ' PHE . . . . . . . . 0 P--O5' 1.612 1.902 0 O4'-C1'-N19 111.051 2.851 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.542 ' C4 ' ' N1 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 110.872 2.672 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.036 0 O4'-C1'-N19 111.407 3.207 . 0.479 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.216 3.016 . 0.063 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.071 2.871 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.072 2.872 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 110.817 2.617 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t 58.56 83.1 0.22 Allowed Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 120.968 -1.083 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.21 122.49 5.71 Favored 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.849 1.699 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.59 -38.56 66.88 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.996 -1.065 . . . . 0.0 109.941 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -144.16 -67.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.855 -1.153 . . . . 0.0 109.624 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 87.82 0.13 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.085 -1.01 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 Cg_endo -77.4 133.94 13.6 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.731 1.621 . . . . 0.0 110.144 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.88 40.4 3.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.077 -1.015 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CD2' HG21 ' A' ' 93' ' ' ILE . 1.7 t60 58.97 23.09 11.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 111.148 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.458 HG21 ' H61' ' B' ' 44' ' ' ' A' . 55.1 m -169.41 143.14 2.79 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.51 -1.369 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.512 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.4 pt -108.93 164.56 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.915 -1.116 . . . . 0.0 108.915 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.28 129.7 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.76 138.5 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.023 -1.048 . . . . 0.0 109.281 179.751 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.11 -172.44 2.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 109.444 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 61.99 43.79 8.75 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.909 -1.119 . . . . 0.0 109.552 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 53' ' ' GLN . 9.4 mp -93.72 -179.33 4.97 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.007 -1.058 . . . . 0.0 109.324 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -89.36 149.12 23.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 109.029 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.0 44.04 1.03 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.0 109.802 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -141.71 30.27 1.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.997 -1.064 . . . . 0.0 110.161 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 24' ' ' GLU . 1.1 mp -120.09 155.14 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.861 -1.149 . . . . 0.0 108.885 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.88 -171.8 3.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.209 -0.932 . . . . 0.0 109.658 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -37.07 27.89 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.139 -0.976 . . . . 0.0 109.817 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.11 -29.3 69.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.093 -1.004 . . . . 0.0 108.78 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.756 ' HB2' HG22 ' A' ' 20' ' ' ILE . 26.9 mt-10 -73.56 -54.81 7.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 109.414 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.892 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -55.4 -25.05 33.48 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.114 . . . . 0.0 111.352 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -82.39 -34.65 28.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.444 -1.41 . . . . 0.0 110.256 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -72.03 -22.72 61.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.722 -1.236 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -43.56 10.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.54 -1.35 . . . . 0.0 110.283 -179.57 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.892 HD11 HD12 ' A' ' 25' ' ' LEU . 19.8 mt -72.55 -57.18 4.35 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.024 -1.048 . . . . 0.0 109.648 -179.397 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.579 ' HA ' HD11 ' A' ' 42' ' ' ILE . 17.0 t-80 -50.51 -29.28 10.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.204 -0.935 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.73 -69.7 0.53 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.689 -1.257 . . . . 0.0 110.207 -179.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.63 -60.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 112.255 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 56' ' ' VAL . 55.6 m-85 -60.55 -37.56 81.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.685 -1.26 . . . . 0.0 110.732 -178.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.56 ' N ' HD11 ' A' ' 39' ' ' ILE . 3.0 t -54.39 -35.62 63.05 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.67 -1.269 . . . . 0.0 110.478 -179.292 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -49.61 -47.73 49.47 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.783 -1.198 . . . . 0.0 110.253 -179.523 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' A' ' 66' ' ' ASN . 97.0 m-85 -61.63 -56.69 17.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.989 -1.069 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.55 -164.04 11.88 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.84 150.48 25.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.24 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.56 HD11 ' N ' ' A' ' 34' ' ' SER . 45.4 mt -110.91 116.96 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -57.8 -45.21 86.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.991 -1.068 . . . . 0.0 109.526 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -179.16 151.24 0.49 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.021 -1.05 . . . . 0.0 110.502 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 30' ' ' HIS . 64.2 mt -115.5 139.1 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.996 -1.065 . . . . 0.0 109.195 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -110.4 133.79 52.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.082 -1.011 . . . . 0.0 109.999 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.97 122.16 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.136 -0.977 . . . . 0.0 108.913 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' ' N6 ' ' B' ' 24' ' ' ' A' . 67.1 m -106.68 168.24 9.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.029 -1.044 . . . . 0.0 109.796 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 38.19 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.025 -1.047 . . . . 0.0 109.824 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.9 p -92.59 -173.36 3.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.014 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD21 " O2'" ' B' ' 40' ' ' ' U' . 1.7 tt -74.59 -51.27 15.02 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.966 -1.083 . . . . 0.0 109.545 -179.715 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -58.8 -40.81 85.14 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.049 -1.032 . . . . 0.0 109.352 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 ttm -101.37 51.5 0.84 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.988 -1.07 . . . . 0.0 109.413 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HD3' ' N1 ' ' B' ' 39' ' ' ' A' . 0.1 OUTLIER -99.44 50.55 0.94 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.99 -1.069 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.08 57.69 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.1 pt20 -178.29 152.92 0.72 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.123 -1.222 . . . . 0.0 110.105 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.33 150.91 33.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.938 -1.101 . . . . 0.0 109.959 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CZ ' ' C8 ' ' B' ' 44' ' ' ' A' . 67.6 m-85 -104.11 148.2 26.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.013 -1.055 . . . . 0.0 109.164 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 33' ' ' PHE . 47.1 t -124.78 125.1 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.904 -1.123 . . . . 0.0 109.15 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 92' ' ' ILE . 42.0 mt -98.14 119.94 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.034 -1.041 . . . . 0.0 109.123 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.5 OUTLIER -96.44 146.82 24.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.99 -1.069 . . . . 0.0 108.824 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -51.02 -38.8 53.59 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.949 -1.094 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -129.13 169.13 15.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.057 -1.027 . . . . 0.0 109.169 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.62 -33.99 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.105 -0.997 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -59.09 -36.21 74.73 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.865 -1.147 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 4.2 m -61.23 -36.46 80.02 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.843 -1.161 . . . . 0.0 110.415 -179.396 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -74.81 -26.74 59.94 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.752 -1.218 . . . . 0.0 109.804 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.469 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 3.2 m -66.99 -40.52 87.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.799 -1.188 . . . . 0.0 109.493 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.1 t-20 -72.04 -37.0 69.8 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.011 -1.055 . . . . 0.0 109.76 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.28 64.99 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.895 -1.128 . . . . 0.0 110.623 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 83' ' ' ILE . 2.6 tp -81.89 -56.62 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.534 -1.354 . . . . 0.0 110.206 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -65.21 -17.67 64.67 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.07 -1.019 . . . . 0.0 111.469 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 66' ' ' ASN . 16.7 p -90.02 -38.28 13.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.491 -1.381 . . . . 0.0 110.05 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtp -104.88 37.34 2.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.873 -1.142 . . . . 0.0 109.745 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.62 96.3 0.93 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.946 -1.096 . . . . 0.0 109.0 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.47 75.49 0.78 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.92 165.75 16.96 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.025 -1.279 . . . . 0.0 109.751 -179.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.01 114.3 3.36 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 122.063 1.842 . . . . 0.0 110.539 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -145.93 131.17 18.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.013 -1.054 . . . . 0.0 109.076 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HE2' HG21 ' A' ' 20' ' ' ILE . 7.9 m-85 60.6 39.02 18.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.922 . . . . 0.0 109.88 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.01 62.25 2.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.944 -1.098 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 176.43 150.01 0.32 Allowed Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 120.788 -1.195 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -77.6 123.39 6.42 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 C-N-CA 121.551 1.5 . . . . 0.0 109.827 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.84 118.1 23.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.4 -179.416 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -91.42 140.86 29.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.005 . . . . 0.0 108.323 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 68' ' ' LEU . 62.6 mt -98.88 136.55 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.986 -1.072 . . . . 0.0 110.377 -179.315 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 134.13 47.43 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.469 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -50.87 173.34 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.901 -1.124 . . . . 0.0 109.773 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.15 162.35 13.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.974 -1.079 . . . . 0.0 109.95 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.13 -46.6 16.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.083 -1.011 . . . . 0.0 109.225 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.2 p -106.86 179.97 4.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.186 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.446 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 5.1 m-20 -99.5 179.56 4.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.005 -1.059 . . . . 0.0 109.808 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 t -80.53 147.3 30.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.194 -0.941 . . . . 0.0 109.277 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.93 -23.93 60.75 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.138 -0.976 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 57' ' ' ILE . 33.1 pt -69.12 -40.62 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.564 -1.335 . . . . 0.0 110.003 -179.375 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.548 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -87.72 1.18 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 O-C-N 120.765 -1.209 . . . . 0.0 109.807 178.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 93' ' ' ILE . . . -67.67 -35.41 78.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.457 -1.402 . . . . 0.0 109.169 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HA ' ' CA ' ' A' ' 99' ' ' THR . 41.9 mttt -69.69 -13.73 62.45 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.87 -1.144 . . . . 0.0 111.51 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.462 ' HG2' ' HA ' ' A' ' 93' ' ' ILE . 21.6 mmt -66.33 -47.4 73.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.884 -1.135 . . . . 0.0 108.248 179.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -53.17 -30.89 39.81 Favored 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.85 -39.97 0.32 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.402 ' CA ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 t 178.1 -43.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.984 -1.303 . . . . 0.0 110.528 178.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -142.85 135.77 28.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.823 -1.173 . . . . 0.0 109.499 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.489 1.521 0 O-C-N 120.956 -1.09 . . . . 0.0 109.134 -179.934 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.011 2.811 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.433 ' C6 ' ' C4 ' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.971 0 O4'-C1'-N19 111.064 2.864 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . 0.433 ' C4 ' ' C6 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 110.779 2.579 . 0.159 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 110.907 2.707 . 0.109 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.487 HO2' ' P ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.435 1.749 0 O4'-C1'-N19 110.912 2.712 OUTLIER-EPSILON 0.477 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.487 ' P ' HO2' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 C3'-C2'-C1' 103.911 2.679 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.492 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 C3'-C2'-C1' 104.419 3.243 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.492 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.051 0 O4'-C1'-N19 111.576 3.376 . 0.092 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.026 2.826 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.184 0 O4'-C1'-N19 111.578 3.378 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.538 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 111.021 2.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C3'-C2'-C1' 104.174 2.971 . 0.344 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.435 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 C5'-C4'-C3' 111.581 -2.613 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 O4'-C1'-N19 110.882 2.682 . 0.913 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 O4'-C1'-N19 110.951 2.751 . 0.576 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 O4'-C1'-N19 111.159 2.959 . 0.156 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.009 0 O4'-C1'-N19 111.166 2.966 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.106 2.906 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.468 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.901 0 O4'-C1'-N19 111.003 2.803 . 0.352 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.468 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 O4'-C1'-N19 111.232 3.032 . 0.425 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.784 0 O4'-C1'-N19 110.956 2.756 . 0.251 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.44 ' C6 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -2.01 0 O4'-C1'-N19 111.083 2.883 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.436 " O2'" ' HD2' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.432 -1.746 0 O4'-C1'-N19 110.909 2.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.545 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.816 0 O4'-C1'-N19 110.903 2.703 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.545 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-C3' 111.621 -2.586 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 111.473 3.273 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 111.225 3.025 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.17 0 O4'-C1'-N19 110.995 2.795 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.618 -2.588 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.6 t 58.39 79.32 0.32 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.053 -1.029 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.22 95.59 1.07 Allowed 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.886 1.724 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.42 41.9 1.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.093 -1.004 . . . . 0.0 110.208 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -169.49 -52.57 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.905 -1.122 . . . . 0.0 110.351 -179.703 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.6 mtt-85 64.46 150.18 0.11 Allowed Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.062 -1.024 . . . . 0.0 109.057 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.94 92.4 1.13 Allowed 'Trans proline' 0 C--N 1.321 -0.874 0 C-N-CA 121.669 1.579 . . . . 0.0 110.526 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -91.45 -178.35 5.08 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.34 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HA ' HG23 ' A' ' 61' ' ' VAL . 1.4 t-80 -112.44 38.63 2.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 110.255 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.529 HG21 ' H61' ' B' ' 44' ' ' ' A' . 34.8 m -167.23 105.75 0.56 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.878 -1.139 . . . . 0.0 110.287 179.248 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.4 pp -67.4 168.87 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.01 -1.056 . . . . 0.0 108.821 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 52.4 t80 -157.44 142.14 16.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.777 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -130.66 134.99 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.165 -0.959 . . . . 0.0 108.711 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.438 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 10.6 p-10 -126.4 41.83 3.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.961 -1.087 . . . . 0.0 109.669 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -144.86 43.29 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.099 -1.0 . . . . 0.0 109.329 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.6 mp -92.82 178.83 5.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.39 156.38 29.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.102 -0.999 . . . . 0.0 109.117 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.78 38.83 1.46 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 109.96 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.58 36.42 0.57 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.866 -1.146 . . . . 0.0 110.06 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.901 HD12 ' CD2' ' A' ' 77' ' ' TYR . 9.1 mm -96.15 151.68 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.917 -1.115 . . . . 0.0 109.644 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 177.55 8.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' NZ ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.2 tptt -79.15 -40.74 30.16 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.913 -1.117 . . . . 0.0 109.102 179.566 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.44 -14.32 60.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.175 -0.953 . . . . 0.0 109.429 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.644 ' HB2' HG22 ' A' ' 20' ' ' ILE . 29.7 mt-10 -83.08 -41.98 17.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.609 -1.307 . . . . 0.0 110.027 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 29' ' ' LEU . 10.1 mt -70.15 -35.64 74.18 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.141 -179.622 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -77.29 -30.1 54.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.857 -1.152 . . . . 0.0 110.509 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.4 -24.62 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.691 -1.256 . . . . 0.0 110.628 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' A' ' 76' ' ' PHE . 23.2 t -87.62 -36.35 17.54 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.515 -1.365 . . . . 0.0 110.471 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.8 mt -72.2 -43.51 64.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.822 -1.174 . . . . 0.0 109.432 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -66.03 -25.81 67.23 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.137 -0.977 . . . . 0.0 110.418 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -77.7 -68.33 0.64 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.598 -1.314 . . . . 0.0 110.042 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -52.08 -56.26 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 111.225 -178.818 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 40.3 m-85 -58.19 -43.42 87.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.816 -1.177 . . . . 0.0 110.812 -178.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.7 p -53.91 -35.89 62.13 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.869 -1.145 . . . . 0.0 110.586 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -54.75 -47.42 73.87 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.704 -1.248 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CE1' ' CB ' ' A' ' 70' ' ' SER . 92.4 m-85 -58.88 -58.52 8.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.074 -1.016 . . . . 0.0 109.553 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.95 -157.43 7.71 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -92.95 133.89 35.66 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.106 -1.232 . . . . 0.0 109.336 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 34' ' ' SER . 54.7 mt -94.52 138.35 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.037 -1.039 . . . . 0.0 109.412 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 ' CB ' ' A' ' 59' ' ' LYS . 2.7 tp -87.77 -41.91 12.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.143 -0.973 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -170.83 147.64 2.77 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.128 -0.982 . . . . 0.0 110.382 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.608 HG12 HG13 ' A' ' 56' ' ' VAL . 74.2 mt -125.02 131.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.114 -0.991 . . . . 0.0 109.223 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.0 mp -105.86 131.62 52.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.919 -1.113 . . . . 0.0 109.877 -179.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.0 123.88 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.165 -0.96 . . . . 0.0 109.279 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.458 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 46.5 t -125.71 160.51 29.56 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.781 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -127.83 36.06 4.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 p -87.14 174.82 8.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.848 -1.157 . . . . 0.0 109.093 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 3.0 tt -67.58 -40.12 84.83 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.996 -1.065 . . . . 0.0 109.741 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.15 -39.4 71.97 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.033 -1.042 . . . . 0.0 109.797 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.8 mmm -112.1 61.89 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.422 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' O ' ' C6 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -110.14 144.95 38.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.936 -1.103 . . . . 0.0 109.479 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.41 38.34 95.58 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' NE2' ' OH ' ' A' ' 12' ' ' TYR . 3.5 pt20 -156.91 151.09 25.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.003 -1.292 . . . . 0.0 109.799 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.27 152.01 38.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CD2' ' C5 ' ' B' ' 44' ' ' ' A' . 34.4 m-85 -111.52 143.04 43.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.12 -0.987 . . . . 0.0 109.191 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 HG12 ' A' ' 42' ' ' ILE . 10.3 t -132.0 127.84 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.895 -1.128 . . . . 0.0 108.867 179.176 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' SER . 39.6 mt -114.99 157.61 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.145 -0.972 . . . . 0.0 108.764 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -130.9 149.67 52.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.005 -1.06 . . . . 0.0 109.219 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.53 ' CB ' HD13 ' A' ' 40' ' ' LEU . 8.5 tttp -49.45 -61.79 1.9 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 120.948 -1.095 . . . . 0.0 108.756 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.41 158.74 15.3 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 177.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 9' ' ' HIS . 4.6 p -90.27 19.69 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.782 -1.199 . . . . 0.0 112.539 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.38 -38.36 11.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.478 -1.389 . . . . 0.0 109.261 178.764 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -62.55 -32.94 73.98 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.902 -1.123 . . . . 0.0 110.176 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -69.34 -32.79 72.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.763 -1.211 . . . . 0.0 108.654 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.471 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 27.4 m -64.91 -39.87 94.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.019 . . . . 0.0 109.713 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -67.83 -34.3 76.47 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.965 -1.084 . . . . 0.0 110.127 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.775 -1.203 . . . . 0.0 110.824 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -53.82 8.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.694 -1.254 . . . . 0.0 110.175 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -5.18 48.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.978 -1.076 . . . . 0.0 111.868 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.413 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 44.1 m -94.43 -39.98 10.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.289 -1.507 . . . . 0.0 109.852 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 20.7 mmm -109.48 38.8 2.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.957 -1.089 . . . . 0.0 109.757 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.77 103.18 0.19 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.994 -1.066 . . . . 0.0 109.159 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.35 64.6 2.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 71' ' ' MET . 4.6 m-85 -120.6 161.03 41.7 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.067 -1.255 . . . . 0.0 109.596 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.12 135.84 14.08 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.825 1.683 . . . . 0.0 110.791 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 6.7 t80 -122.51 -59.4 1.63 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 108.648 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.901 ' CD2' HD12 ' A' ' 20' ' ' ILE . 6.6 m-85 -125.38 67.94 1.14 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.086 -1.009 . . . . 0.0 108.834 179.071 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.74 42.4 8.13 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 109.564 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 150.4 1.39 Allowed Pre-proline 0 N--CA 1.499 2.022 0 O-C-N 121.016 -1.052 . . . . 0.0 110.067 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -78.32 147.66 23.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.813 1.675 . . . . 0.0 110.341 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.39 138.0 20.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.014 -1.053 . . . . 0.0 109.966 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 148.84 23.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.047 -1.033 . . . . 0.0 109.168 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.8 mt -110.26 138.58 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.118 -0.989 . . . . 0.0 110.113 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -143.42 139.11 29.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -0.954 . . . . 0.0 108.747 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.471 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 12.7 m-85 -50.94 175.3 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.917 -1.114 . . . . 0.0 109.843 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . -95.01 162.29 13.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.016 -1.053 . . . . 0.0 109.389 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' HD2' " O2'" ' B' ' 43' ' ' ' C' . 50.1 mttm -63.27 -50.15 71.28 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 109.418 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.7 p -113.42 179.53 3.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 0.0 109.419 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 4.1 m-20 -86.07 -178.43 6.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.027 -1.046 . . . . 0.0 109.279 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.599 ' HB2' HD13 ' A' ' 57' ' ' ILE . 15.6 p -95.79 158.37 15.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.094 -1.004 . . . . 0.0 109.783 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.38 19.86 10.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.854 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 93' ' ' ILE . 34.7 pt -101.34 -36.72 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.479 -1.388 . . . . 0.0 110.465 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -91.68 3.07 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 O-C-N 120.555 -1.341 . . . . 0.0 109.145 178.517 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 93' ' ' ILE . . . -69.01 -33.81 74.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.486 -1.383 . . . . 0.0 108.962 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -69.21 -11.68 61.01 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.842 -1.161 . . . . 0.0 111.714 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 null -94.66 -41.04 9.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.734 -1.229 . . . . 0.0 109.52 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -51.81 -35.88 45.82 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.937 -1.102 . . . . 0.0 108.214 178.124 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' C ' HG22 ' A' ' 99' ' ' THR . . . 162.13 57.83 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.19 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.401 HG22 ' C ' ' A' ' 98' ' ' GLY . 2.3 t 37.96 65.62 0.56 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.812 -0.817 . . . . 0.0 111.262 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.415 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 2.8 m-85 -56.39 -39.51 73.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.987 -1.071 . . . . 0.0 109.502 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.501 2.095 0 O-C-N 121.024 -1.048 . . . . 0.0 110.386 -179.843 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.413 ' C6 ' ' N3 ' ' B' ' 50' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.974 0 O4'-C1'-N19 110.913 2.713 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.074 2.874 . 0.095 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 110.864 2.664 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.535 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 O4'-C1'-N19 110.904 2.704 . 0.145 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.488 ' C6 ' ' C4 ' ' B' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.854 0 O4'-C1'-N19 111.239 3.039 . 0.377 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.488 ' C4 ' ' C6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C3'-C2'-C1' 104.524 3.359 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.543 ' C2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 O4'-C1'-N19 111.483 3.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.543 ' C4 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.552 ' H42' ' N6 ' ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 110.887 2.687 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.433 ' C4 ' ' O4 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.232 0 O4'-C1'-N19 111.186 2.986 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.433 ' O4 ' ' C4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.291 0 O4'-C1'-N19 111.627 3.427 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . 0.548 " O2'" ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.203 0 C3'-C2'-C1' 104.249 3.055 . 0.711 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.573 ' C2 ' ' C5 ' ' B' ' 34' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.396 -4.743 0 C5'-C4'-C3' 111.571 -2.619 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.573 ' C5 ' ' C2 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.995 3.795 . 0.151 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.155 0 O4'-C1'-N19 111.233 3.033 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.415 ' N1 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.207 3.007 . 0.441 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.552 ' N6 ' ' H42' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.978 0 O4'-C1'-N19 111.06 2.86 . 0.239 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 O4'-C1'-N19 111.13 2.93 . 0.405 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.807 0 O4'-C1'-N19 110.864 2.664 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.042 0 O4'-C1'-N19 111.234 3.034 . 0.3 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.838 0 O4'-C1'-N19 110.949 2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C5'-C4'-C3' 111.465 -2.69 . 0.078 4g . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.435 ' C4 ' ' HE2' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.61 1.719 0 O4'-C1'-N19 111.011 2.811 . 0.01 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.54 ' C5 ' ' CE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.052 2.852 . 0.381 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.528 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C5'-C4'-C3' 111.554 -2.63 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.055 0 O4'-C1'-N19 111.542 3.342 . 0.156 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.316 3.116 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.535 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 O4'-C1'-N19 111.1 2.9 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 111.096 2.896 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . 0.413 ' N3 ' ' C6 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 O4'-C1'-N19 110.88 2.68 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.6 156.3 79.94 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -77.98 86.54 1.64 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.885 1.723 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.01 176.52 1.22 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.108 -0.995 . . . . 0.0 109.429 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -100.47 151.21 21.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.109 -0.995 . . . . 0.0 109.334 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -97.43 144.22 27.54 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.022 -1.049 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -78.96 110.7 2.82 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 121.755 1.636 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.0 m120 -123.15 173.43 7.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.488 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' N ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -83.85 -41.84 17.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.108 -0.995 . . . . 0.0 109.079 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -96.54 148.92 22.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.144 -0.972 . . . . 0.0 109.271 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 85' ' ' TYR . 4.1 pt -116.26 145.77 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.994 -1.066 . . . . 0.0 109.222 179.347 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 67.4 t80 -113.0 119.09 36.72 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.409 -0.807 . . . . 0.0 109.262 -179.446 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -98.8 147.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.048 -1.033 . . . . 0.0 109.046 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -139.35 -179.97 6.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.006 -1.059 . . . . 0.0 109.648 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 59.19 41.47 20.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.983 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.473 HD21 ' SD ' ' A' ' 81' ' ' MET . 3.0 mt -95.41 179.59 5.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.067 -1.021 . . . . 0.0 109.473 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' HD11 ' A' ' 20' ' ' ILE . 8.1 t-20 -72.03 151.45 43.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.031 -1.043 . . . . 0.0 109.052 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.01 34.7 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.148 -0.97 . . . . 0.0 110.374 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -148.0 33.27 0.83 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.779 -1.201 . . . . 0.0 110.281 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.874 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.9 mm -99.24 154.13 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.846 -1.159 . . . . 0.0 109.91 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -85.47 -177.61 6.49 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -86.62 -40.09 15.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.889 -1.132 . . . . 0.0 109.133 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.12 -29.6 57.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 108.456 178.236 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.5 tt0 -70.21 -46.44 64.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.877 -1.139 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -67.5 -31.61 71.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.908 -1.12 . . . . 0.0 110.455 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -73.82 -24.43 59.8 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.219 . . . . 0.0 110.597 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -78.73 -36.88 42.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 85.1 p -69.83 -38.56 76.58 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.881 -1.137 . . . . 0.0 109.972 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 42' ' ' ILE . 6.9 mt -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.86 -1.15 . . . . 0.0 110.067 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -68.32 -18.48 64.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.865 -1.147 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.71 -51.94 4.86 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.434 -1.416 . . . . 0.0 110.147 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.94 -55.24 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.98 -1.075 . . . . 0.0 110.731 -179.078 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 64.2 m-85 -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.899 -1.126 . . . . 0.0 110.703 -178.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 39' ' ' ILE . 29.9 t -61.64 -33.51 74.06 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.84 -1.163 . . . . 0.0 110.367 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -49.7 -38.3 32.55 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.639 -1.288 . . . . 0.0 110.262 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 66' ' ' ASN . 80.8 m-85 -74.92 -52.21 11.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.927 -1.108 . . . . 0.0 109.383 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 -163.88 11.21 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -89.34 146.43 24.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.994 -1.298 . . . . 0.0 109.38 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 34' ' ' SER . 65.4 mt -108.99 117.15 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.011 -1.056 . . . . 0.0 109.564 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 92' ' ' ILE . 95.9 mt -60.9 -40.31 92.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.631 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.83 146.04 0.24 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.976 -1.078 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 29' ' ' LEU . 26.4 mt -110.91 125.86 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.034 -1.041 . . . . 0.0 109.473 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.55 131.05 45.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.02 -1.05 . . . . 0.0 109.6 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.77 131.69 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.043 -1.035 . . . . 0.0 109.327 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.441 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 29.4 t -110.06 146.99 34.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.91 -1.119 . . . . 0.0 109.619 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.74 38.31 4.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 109.85 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -107.22 163.2 13.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.946 -1.096 . . . . 0.0 109.283 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 2.0 tt -58.83 -41.98 88.19 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.994 -1.066 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.43 -40.77 95.64 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.052 -1.03 . . . . 0.0 109.549 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HB2' ' OG ' ' A' ' 45' ' ' SER . 87.2 mmm -109.67 60.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.387 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.44 143.4 35.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.23 38.84 88.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' OE1' ' CE2' ' A' ' 55' ' ' PHE . 4.9 pp0? -155.07 164.51 38.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.988 -1.301 . . . . 0.0 109.921 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.11 11.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.953 -1.092 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' C5 ' ' B' ' 44' ' ' ' A' . 74.4 m-85 -138.84 135.9 35.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.051 -1.031 . . . . 0.0 109.096 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -126.62 126.17 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.888 -1.133 . . . . 0.0 109.991 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HD11 ' A' ' 92' ' ' ILE . 40.3 mt -99.43 118.22 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.077 -1.014 . . . . 0.0 108.942 179.426 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m-85 -98.28 143.57 28.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.072 -1.018 . . . . 0.0 109.366 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -55.23 -40.81 71.29 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.993 -1.067 . . . . 0.0 109.407 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.19 150.92 44.65 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.158 -0.964 . . . . 0.0 109.319 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 10.1 p -62.16 -32.27 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.997 -1.064 . . . . 0.0 109.995 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.8 m -62.98 -35.19 79.35 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.784 -1.197 . . . . 0.0 109.913 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.4 m -58.73 -33.73 70.56 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.774 -1.204 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.21 -29.24 48.23 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.709 -1.245 . . . . 0.0 109.747 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' OH ' ' A' ' 85' ' ' TYR . 32.5 m -63.86 -39.66 94.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.866 -1.146 . . . . 0.0 109.859 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -76.8 -39.22 52.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.964 -1.085 . . . . 0.0 109.761 -179.79 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -67.63 -16.77 64.33 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.926 -1.109 . . . . 0.0 110.975 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -37.03 12.23 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.484 -1.385 . . . . 0.0 110.186 -179.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -68.67 -35.63 77.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.831 -1.168 . . . . 0.0 110.205 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 t -85.39 -27.58 25.72 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.9 -1.125 . . . . 0.0 110.852 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mtp -101.81 35.61 2.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.59 -1.319 . . . . 0.0 110.07 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -76.82 92.7 3.63 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.937 -1.102 . . . . 0.0 108.999 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 73.11 1.21 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -119.33 161.01 39.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.278 . . . . 0.0 109.625 -179.737 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 74' ' ' PHE . 35.8 Cg_endo -78.24 134.3 12.72 Favored 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.977 1.784 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -147.03 119.22 8.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.3 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.874 ' CD2' HD12 ' A' ' 20' ' ' ILE . 67.0 m-85 71.08 -84.08 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 O-C-N 122.163 -0.336 . . . . 0.0 110.675 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.52 44.37 0.53 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.507 -1.371 . . . . 0.0 110.459 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.64 152.16 0.56 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 120.902 -1.123 . . . . 0.0 110.151 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -76.94 147.17 26.67 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.792 1.661 . . . . 0.0 110.045 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -148.24 129.36 14.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.282 -179.652 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.24 139.04 31.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.0 108.488 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.61 136.85 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.042 . . . . 0.0 110.255 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 135.67 53.93 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CD1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -50.61 157.6 0.74 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.865 -1.147 . . . . 0.0 109.721 -179.433 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 162.46 28.07 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 0.0 109.534 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HE2' ' C4 ' ' B' ' 43' ' ' ' C' . 32.1 mttm -77.24 -41.52 40.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.035 -1.04 . . . . 0.0 109.419 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -119.43 177.88 4.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.021 -1.05 . . . . 0.0 109.888 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -88.21 -174.81 4.8 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.139 -0.976 . . . . 0.0 109.471 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.426 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.2 OUTLIER -89.72 154.24 20.09 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.997 -1.065 . . . . 0.0 109.383 179.916 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -33.12 58.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 109.766 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 93' ' ' ILE . 1.2 pp -56.46 -26.11 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.859 -1.15 . . . . 0.0 109.512 178.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -69.09 -45.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.43 -1.419 . . . . 0.0 107.21 177.888 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.608 ' HB1' ' CD2' ' A' ' 100' ' ' PHE . . . -50.55 -31.16 14.85 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.279 -0.888 . . . . 0.0 110.628 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -70.65 -41.98 71.43 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.674 -1.266 . . . . 0.0 110.635 -179.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.407 -0.808 . . . . 0.0 110.869 -179.481 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -50.76 -38.76 49.74 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.43 -57.04 0.05 OUTLIER Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 177.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 101' ' ' VAL . 1.4 t 173.18 52.99 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.212 -1.17 . . . . 0.0 109.837 178.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' HB1' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -55.21 99.59 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.855 -1.153 . . . . 0.0 109.389 -179.817 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 99' ' ' THR . 99.4 t . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.047 -1.033 . . . . 0.0 109.111 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 110.961 2.761 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.062 0 O4'-C1'-N19 110.943 2.743 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C5'-C4'-C3' 111.602 -2.599 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.528 ' C2 ' ' N1 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 110.846 2.646 . 0.299 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.069 0 O4'-C1'-N19 111.155 2.955 . 0.115 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.52 ' C2 ' ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O4'-C1'-N19 110.884 2.684 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.457 " C1'" ' HB2' ' A' ' 48' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 O4'-C1'-N19 111.283 3.083 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.164 2.964 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C3'-C2'-C1' 103.89 2.655 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.41 ' N4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 111.013 2.813 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.442 ' O2 ' ' C4 ' ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 110.906 2.706 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C3'-C2'-C1' 104.177 2.975 . 0.284 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.443 " O4'" ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C5'-C4'-C3' 111.701 -2.533 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.443 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 O4'-C1'-N19 110.87 2.67 . 0.907 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.082 0 O4'-C1'-N19 111.14 2.94 . 0.632 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.41 ' C6 ' ' N4 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.13 2.93 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 O4'-C1'-N19 111.175 2.975 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 110.9 2.7 . 0.345 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.821 0 O4'-C1'-N19 111.092 2.892 . 0.376 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 O4'-C1'-N19 110.888 2.688 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . 0.451 " O4'" ' C4 ' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.923 0 O4'-C1'-N19 110.752 2.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.451 ' C4 ' " O4'" ' B' ' 41' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 O4'-C1'-N19 110.838 2.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 0 O4'-C1'-N19 111.146 2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.549 ' C5 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.438 1.962 0 O4'-C1'-N19 111.062 2.862 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.535 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 110.854 2.654 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.991 0 O4'-C1'-N19 111.517 3.317 . 0.54 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.528 ' N1 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.064 2.864 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.185 0 O4'-C1'-N19 111.29 3.09 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 0 O4'-C1'-N19 110.84 2.64 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 38.7 t -73.17 -45.99 8.06 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.13 -0.982 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.1 Cg_endo -78.46 -170.35 0.96 Allowed 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 121.111 1.208 . . . . 0.0 110.381 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.15 -37.74 18.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.994 -1.066 . . . . 0.0 110.488 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 5' ' ' THR . 8.8 m -126.11 38.45 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.871 -1.143 . . . . 0.0 110.184 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' CA ' ' HG2' ' A' ' 3' ' ' PRO . 10.1 mmm180 61.63 149.93 0.09 OUTLIER Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.157 -0.964 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.66 157.33 24.8 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.798 1.666 . . . . 0.0 110.164 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 3.6 m120 -119.85 -74.04 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.545 ' NE2' HG21 ' A' ' 93' ' ' ILE . 2.3 t60 172.41 -46.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.287 -0.883 . . . . 0.0 108.677 -179.472 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.6 m -111.32 158.76 18.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.008 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.527 HD12 HG21 ' A' ' 83' ' ' ILE . 44.8 pt -117.64 159.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 12.3 t80 -139.18 107.12 5.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -0.908 . . . . 0.0 109.556 -178.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 54' ' ' ALA . 8.8 mt -76.19 150.04 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.032 -1.042 . . . . 0.0 108.727 178.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 19.6 t-20 -140.61 159.32 42.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.96 -1.087 . . . . 0.0 109.509 -179.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 68.78 46.46 0.91 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.906 -1.121 . . . . 0.0 109.112 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 53' ' ' GLN . 1.1 mt -92.52 -179.52 5.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.195 -0.941 . . . . 0.0 109.266 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -79.73 149.76 31.05 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.123 -0.986 . . . . 0.0 109.271 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -101.14 34.55 2.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.105 -0.997 . . . . 0.0 110.279 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -138.34 29.34 2.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.735 -1.228 . . . . 0.0 109.933 179.298 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.931 HD12 ' CD2' ' A' ' 77' ' ' TYR . 10.3 mm -99.31 152.42 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.879 -1.138 . . . . 0.0 109.883 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -86.99 -176.94 5.92 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.067 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -86.98 -39.94 15.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.846 -1.159 . . . . 0.0 109.188 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.16 -24.32 57.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 108.938 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 10.1 tt0 -78.17 -45.83 22.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.801 -1.187 . . . . 0.0 110.003 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.815 ' CD1' HG21 ' A' ' 20' ' ' ILE . 5.7 tp -68.21 -28.32 67.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.997 -1.065 . . . . 0.0 110.815 -179.511 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -80.1 -30.86 39.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.668 -1.27 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -22.94 49.81 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.627 -1.296 . . . . 0.0 110.424 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 49.5 m -86.24 -39.41 16.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.629 -1.294 . . . . 0.0 109.992 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.49 -42.46 71.33 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.945 -1.097 . . . . 0.0 109.545 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' A' ' 34' ' ' SER . 6.2 t-80 -62.54 -28.69 70.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.176 -0.952 . . . . 0.0 110.466 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.87 -69.73 0.55 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.622 -1.299 . . . . 0.0 109.783 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.415 HD13 ' CE ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -46.51 -59.24 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.073 -1.017 . . . . 0.0 112.051 -178.687 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 14.0 m-85 -61.28 -32.17 72.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.657 -1.277 . . . . 0.0 111.463 -178.669 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 39' ' ' ILE . 31.8 p -66.37 -27.68 68.05 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.717 -1.239 . . . . 0.0 111.8 -178.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 1.9 ptm180 -49.47 -31.58 10.28 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.493 -1.38 . . . . 0.0 110.992 -179.079 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.26 -55.56 6.26 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.711 -1.243 . . . . 0.0 109.375 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.84 -141.45 3.23 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -98.5 142.78 29.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.96 -1.318 . . . . 0.0 109.378 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 34' ' ' SER . 59.4 mt -100.76 117.12 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.051 -1.031 . . . . 0.0 109.533 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 92' ' ' ILE . 2.8 mp -52.96 -66.9 0.3 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.96 -1.087 . . . . 0.0 109.674 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -159.51 141.95 13.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.148 -0.97 . . . . 0.0 110.068 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.9 mt -113.18 142.62 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.028 -1.045 . . . . 0.0 109.456 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.32 138.24 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.03 -1.044 . . . . 0.0 109.682 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 16.7 m -141.64 121.7 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.266 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.52 ' OG ' ' C2 ' ' B' ' 24' ' ' ' A' . 5.8 m -136.2 142.28 44.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.011 -1.055 . . . . 0.0 109.203 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 47' ' ' SER . 25.4 mtt180 -87.35 -76.22 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 46' ' ' ARG . 6.3 p 48.75 -177.48 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.884 -1.135 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HB2' " C1'" ' B' ' 25' ' ' ' G' . 2.0 tt -84.39 -40.28 18.02 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.409 -1.432 . . . . 0.0 109.963 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -74.75 -37.89 62.38 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.999 -1.063 . . . . 0.0 110.255 -179.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mtp -95.92 52.3 1.31 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.917 -1.114 . . . . 0.0 109.752 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 49.58 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.958 -1.089 . . . . 0.0 109.435 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.94 57.66 0.01 OUTLIER Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.631 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.9 pt20 -176.59 172.6 2.14 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.152 -1.205 . . . . 0.0 110.36 -179.603 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -158.2 176.2 12.79 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.754 -1.216 . . . . 0.0 110.392 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.549 ' CE2' ' C5 ' ' B' ' 44' ' ' ' A' . 81.5 m-85 -134.68 145.52 48.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.007 -1.058 . . . . 0.0 109.478 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 58' ' ' PHE . 38.7 t -142.53 121.42 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.819 -1.176 . . . . 0.0 109.652 179.353 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' CD1' HD13 ' A' ' 92' ' ' ILE . 51.9 mt -99.76 126.29 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 120.806 -1.184 . . . . 0.0 108.427 179.322 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 56' ' ' VAL . 49.9 m-85 -107.73 152.1 24.8 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.124 -0.985 . . . . 0.0 109.337 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -49.77 110.25 0.37 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.274 -0.891 . . . . 0.0 109.234 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 71.72 -173.16 0.16 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.282 -0.886 . . . . 0.0 109.079 -178.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.428 HG22 ' ND1' ' A' ' 9' ' ' HIS . 11.9 t -94.93 -32.53 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.976 -1.077 . . . . 0.0 110.862 -179.18 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 p -58.88 -38.13 78.13 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.833 -1.167 . . . . 0.0 110.377 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t -59.83 -35.9 75.69 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.847 -1.158 . . . . 0.0 110.43 -179.408 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.78 -29.92 62.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.757 -1.214 . . . . 0.0 109.499 179.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.456 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 3.6 m -62.57 -40.35 96.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 109.361 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -39.37 72.37 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -66.08 -18.91 65.65 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.949 -1.094 . . . . 0.0 110.991 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.39 -55.73 3.76 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.45 -1.406 . . . . 0.0 110.025 -179.429 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -53.85 -36.58 62.73 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.003 -1.061 . . . . 0.0 110.426 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -77.09 -33.87 56.94 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.876 -1.14 . . . . 0.0 110.295 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 32' ' ' ILE . 13.7 mtp -102.3 35.26 2.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.187 . . . . 0.0 110.113 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -73.06 109.84 6.89 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.889 -1.132 . . . . 0.0 108.94 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.83 65.55 3.16 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 -179.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -105.22 152.56 39.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.144 -1.209 . . . . 0.0 109.683 -179.614 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 74' ' ' PHE . 36.8 Cg_endo -81.05 105.78 1.69 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 121.895 1.73 . . . . 0.0 110.345 179.84 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -116.12 124.56 50.67 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.005 -1.059 . . . . 0.0 108.562 179.61 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.931 ' CD2' HD12 ' A' ' 20' ' ' ILE . 77.9 m-85 57.15 38.07 28.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.029 . . . . 0.0 109.731 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 61.25 63.47 1.22 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.917 -1.114 . . . . 0.0 110.355 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.86 142.81 1.6 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.797 -1.19 . . . . 0.0 110.0 179.434 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.54 111.43 3.01 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.409 1.406 . . . . 0.0 109.614 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -125.74 139.33 53.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.003 -1.06 . . . . 0.0 110.536 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mtm105 -119.0 147.05 44.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 108.66 179.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 11' ' ' ILE . 3.4 mp -107.45 140.76 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.0 -1.062 . . . . 0.0 110.278 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -131.25 134.58 46.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 24.3 m-85 -49.91 122.08 6.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.933 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 166.27 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.187 -0.945 . . . . 0.0 110.449 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.44 -52.91 22.3 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.993 -1.067 . . . . 0.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 p -105.17 179.55 4.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.078 -1.014 . . . . 0.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 25.1 m-20 -86.82 -174.09 4.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.041 -1.037 . . . . 0.0 109.182 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.44 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 0.5 OUTLIER -91.33 160.04 15.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.354 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -95.94 19.11 12.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CD1' HD23 ' A' ' 40' ' ' LEU . 7.6 pt -97.41 -43.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.464 -1.398 . . . . 0.0 109.293 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.558 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -85.27 -3.7 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 O-C-N 121.03 -1.044 . . . . 0.0 109.75 179.132 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' N ' HD13 ' A' ' 93' ' ' ILE . . . -67.28 -35.62 79.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.324 -1.485 . . . . 0.0 109.522 179.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -70.11 -14.11 62.51 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 0.0 111.507 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 93' ' ' ILE . 25.4 mmt -67.62 -46.09 73.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.886 -1.133 . . . . 0.0 107.983 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -53.18 -30.83 39.62 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.57 -40.06 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.654 -1.379 . . . . 0.0 109.654 178.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 t 179.72 -43.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.067 -1.255 . . . . 0.0 110.673 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.88 -68.74 0.4 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.751 -1.218 . . . . 0.0 109.384 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.5 2.068 0 O-C-N 120.945 -1.097 . . . . 0.0 110.152 -179.847 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 O4'-C1'-N19 110.919 2.719 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 O4'-C1'-N19 111.098 2.898 . 0.097 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 110.943 2.743 . 0.134 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.444 ' N6 ' ' O6 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 110.967 2.767 . 0.149 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.444 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.994 0 O4'-C1'-N19 111.253 3.053 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.446 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 110.828 2.628 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.538 ' C2 ' ' C5 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 C3'-C2'-C1' 104.374 3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.538 ' C5 ' ' C2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.583 3.383 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 110.924 2.724 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.481 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 110.902 2.702 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.481 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.085 2.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C3'-C2'-C1' 104.156 2.951 . 0.358 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.441 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.966 0 C5'-C4'-C3' 111.701 -2.533 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.434 ' C2 ' " O4'" ' B' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 110.836 2.636 . 0.9 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.043 0 O4'-C1'-N19 111.001 2.801 . 0.598 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.166 2.966 . 0.156 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.176 2.976 . 0.243 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.191 2.991 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . 0.538 ' C6 ' ' C4 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.83 0 O4'-C1'-N19 110.91 2.71 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.538 ' C4 ' ' C6 ' ' B' ' 39' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.022 0 O4'-C1'-N19 111.364 3.164 . 0.355 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.486 -2.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.436 ' N1 ' ' O ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.081 0 C5'-C4'-C3' 111.529 -2.647 . 0.637 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.541 ' C4 ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 O4'--C4' 1.432 -1.72 0 O4'-C1'-N19 110.814 2.614 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.51 ' C6 ' ' N4 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.849 0 O4'-C1'-N19 110.848 2.648 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.51 ' N4 ' ' C6 ' ' B' ' 44' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.11 2.91 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 O4'-C1'-N19 111.147 2.947 . 0.42 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 O4'-C1'-N19 111.354 3.154 . 0.038 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 O4'-C1'-N19 111.075 2.875 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.325 3.125 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 C5'-C4'-C3' 111.682 -2.546 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 2' ' ' VAL . 20.9 m -128.54 71.06 80.43 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.45 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.2 117.37 4.1 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.906 1.737 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.73 -178.42 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.136 -0.978 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.9 100.83 5.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.246 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -74.47 152.19 87.59 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.054 -1.029 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 36.2 Cg_endo -78.36 144.43 20.44 Favored 'Trans proline' 0 C--N 1.322 -0.818 0 C-N-CA 121.761 1.641 . . . . 0.0 110.482 -179.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -118.31 -65.84 1.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.49 -43.85 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 56' ' ' VAL . 86.0 m -113.6 116.98 30.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.38 -0.825 . . . . 0.0 109.424 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.929 HG23 ' HB1' ' A' ' 64' ' ' ALA . 2.2 pp -71.75 177.1 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 109.21 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CD2' ' C4 ' ' B' ' 43' ' ' ' C' . 47.2 t80 -146.79 154.39 41.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.055 -1.028 . . . . 0.0 109.357 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 16' ' ' LEU . 2.7 mp -137.09 138.22 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.181 -0.95 . . . . 0.0 109.152 179.76 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 16.7 p-10 -139.86 -175.88 4.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 109.485 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 61.38 40.87 13.63 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 109.501 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 HG22 ' A' ' 13' ' ' ILE . 2.9 mp -92.75 178.03 5.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 109.332 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.72 ' OD1' HD11 ' A' ' 20' ' ' ILE . 50.3 p-10 -85.39 155.05 21.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.977 -1.077 . . . . 0.0 109.428 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -94.06 58.41 2.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 109.545 -179.842 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -150.89 36.32 0.62 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.967 -1.083 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.762 HG21 ' HB2' ' A' ' 25' ' ' LEU . 14.1 mm -93.37 155.62 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.961 -1.087 . . . . 0.0 109.625 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -105.78 27.87 8.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.18 -0.95 . . . . 0.0 111.202 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 72.69 -80.47 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 O-C-N 121.467 -0.771 . . . . 0.0 111.603 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.61 -26.71 63.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.391 -1.443 . . . . 0.0 108.673 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 19.4 tt0 -64.96 -42.85 94.23 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.968 -1.083 . . . . 0.0 109.838 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 20' ' ' ILE . 7.1 tp -67.49 -28.75 68.11 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.837 -1.164 . . . . 0.0 111.152 -179.478 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -79.02 -23.5 44.29 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.67 -1.269 . . . . 0.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.4 -31.49 33.2 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.544 -1.348 . . . . 0.0 109.917 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 5.3 m -79.18 -38.84 34.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.771 -1.206 . . . . 0.0 110.087 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.69 -51.68 18.34 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.91 -1.119 . . . . 0.0 109.502 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CA ' HD11 ' A' ' 42' ' ' ILE . 5.5 t-80 -54.42 -27.65 38.46 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.133 -0.98 . . . . 0.0 110.682 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.56 -70.38 0.53 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.66 -1.275 . . . . 0.0 110.278 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -58.39 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.955 -1.091 . . . . 0.0 112.567 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 26.4 m-85 -58.87 -36.02 73.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.746 -1.221 . . . . 0.0 111.253 -178.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.417 ' N ' HD11 ' A' ' 39' ' ' ILE . 20.8 t -61.59 -34.53 75.77 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.767 -1.208 . . . . 0.0 110.551 -179.199 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -45.64 -32.38 2.35 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.917 -1.114 . . . . 0.0 111.881 -178.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 m-85 -96.34 -39.62 9.53 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.749 -1.219 . . . . 0.0 110.784 -178.289 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 63' ' ' SER . . . -145.99 -172.57 16.46 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.424 -1.37 . . . . 0.0 110.04 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -92.22 140.7 29.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.127 -1.22 . . . . 0.0 109.203 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 34' ' ' SER . 48.6 mt -104.24 134.79 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.004 -1.06 . . . . 0.0 109.295 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.67 -40.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.979 -1.075 . . . . 0.0 109.608 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.85 156.65 1.1 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.105 -0.997 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.7 mt -122.86 141.73 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 109.192 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.9 130.27 55.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.998 -1.064 . . . . 0.0 109.83 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.66 121.4 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.446 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 1.0 OUTLIER -111.27 -178.6 3.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.981 -1.074 . . . . 0.0 109.652 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -142.82 36.17 1.42 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 0.0 110.14 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 p -95.31 177.04 5.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.84 -1.163 . . . . 0.0 108.954 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 4.1 tt -60.41 -40.84 92.43 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.923 -1.11 . . . . 0.0 110.124 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -74.52 -38.91 62.68 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.927 -1.108 . . . . 0.0 109.863 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 58.48 2.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' O ' ' N1 ' ' B' ' 42' ' ' ' G' . 0.0 OUTLIER -110.28 120.09 41.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.987 -1.071 . . . . 0.0 109.391 -179.851 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.91 44.04 47.89 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -162.03 141.01 9.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.265 . . . . 0.0 110.071 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.87 -175.75 4.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.934 -1.104 . . . . 0.0 110.063 -179.755 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 36.7 m-85 -140.27 152.47 45.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.963 -1.086 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.691 ' O ' HG23 ' A' ' 10' ' ' THR . 16.1 t -134.84 133.34 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.999 -1.063 . . . . 0.0 109.197 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 92' ' ' ILE . 17.0 mt -105.92 143.84 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.028 -1.045 . . . . 0.0 109.117 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.901 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 92.5 m-85 -127.56 140.94 51.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.991 -1.068 . . . . 0.0 109.814 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.49 112.2 0.95 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.11 -0.993 . . . . 0.0 110.036 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.72 144.04 0.05 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.221 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.6 p -68.69 97.78 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 108.836 179.619 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 -50.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -60.77 -37.56 82.29 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.167 -0.958 . . . . 0.0 108.762 179.002 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.929 ' HB1' HG23 ' A' ' 11' ' ' ILE . . . -72.97 -29.5 63.11 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.868 -1.145 . . . . 0.0 109.291 178.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.475 ' HA ' ' OH ' ' A' ' 85' ' ' TYR . 1.8 m -58.53 -42.54 88.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.968 -1.083 . . . . 0.0 109.69 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.5 -41.87 62.53 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.057 -1.027 . . . . 0.0 109.718 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 33' ' ' PHE . . . -55.16 -27.09 43.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.52 -53.45 4.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.57 -1.331 . . . . 0.0 110.261 -179.082 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -49.68 -30.24 8.8 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.907 -1.121 . . . . 0.0 111.266 -179.3 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -30.51 14.97 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.772 -1.205 . . . . 0.0 110.943 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 mtp -100.89 33.7 2.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.675 -1.265 . . . . 0.0 110.463 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.58 97.68 0.62 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.846 -1.159 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.03 73.64 0.9 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.45 170.36 6.24 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.27 . . . . 0.0 109.818 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.51 146.0 21.31 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 121.935 1.757 . . . . 0.0 110.604 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -165.51 117.48 1.12 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.075 -1.016 . . . . 0.0 109.625 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD2' HD12 ' A' ' 20' ' ' ILE . 65.8 m-85 58.9 41.36 21.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.077 -1.015 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.7 t70 57.66 63.05 1.92 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.064 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -179.87 142.91 0.36 Allowed Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.0 110.252 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.52 134.29 12.33 Favored 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.656 1.57 . . . . 0.0 109.875 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 13' ' ' ILE . 1.8 ptt? -143.39 130.11 20.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.022 -1.049 . . . . 0.0 110.309 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 148.08 22.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.118 -0.989 . . . . 0.0 108.586 179.244 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.4 135.29 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.098 -1.001 . . . . 0.0 110.519 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.406 ' HB2' ' N4 ' ' B' ' 43' ' ' ' C' . 6.8 mt-30 -134.1 140.63 46.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 65' ' ' THR . 23.6 m-85 -52.13 176.46 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.791 -1.193 . . . . 0.0 109.76 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.476 ' HB1' ' H62' ' B' ' 44' ' ' ' A' . . . -84.66 178.78 7.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.041 -1.037 . . . . 0.0 109.326 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' HG2' ' C2 ' ' B' ' 43' ' ' ' C' . 11.1 mmtp -84.43 -49.3 8.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.021 -1.049 . . . . 0.0 109.184 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 p -114.81 179.52 3.93 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.112 -0.993 . . . . 0.0 109.358 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.441 ' O ' ' N4 ' ' B' ' 45' ' ' ' C' . 0.6 OUTLIER -75.3 -179.79 4.69 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.041 -1.037 . . . . 0.0 109.187 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.452 ' HA ' ' H42' ' B' ' 45' ' ' ' C' . 1.7 t -89.76 155.83 18.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 109.36 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -32.93 22.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.043 -1.036 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 57' ' ' ILE . 1.3 pp -56.94 -24.5 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.711 -1.243 . . . . 0.0 109.657 178.816 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.645 ' N ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -72.49 -44.13 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 120.425 -1.422 . . . . 0.0 107.364 177.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.18 -32.78 24.68 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.118 -0.989 . . . . 0.0 110.12 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 25.3 mtpt -75.72 -38.35 58.64 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.757 -1.214 . . . . 0.0 110.863 -179.411 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.7 mmt -66.59 -22.76 66.13 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.29 53.73 1.18 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 175.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 100' ' ' PHE . . . 72.62 130.81 0.13 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 106.308 -2.717 . . . . 0.0 106.308 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 95' ' ' LYS . 7.2 t -27.6 -40.41 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 CA-C-N 117.86 0.83 . . . . 0.0 113.041 -177.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.425 ' HD2' HG23 ' A' ' 101' ' ' VAL . 62.7 t80 -153.07 -58.48 0.13 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.922 179.754 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.425 HG23 ' HD2' ' A' ' 100' ' ' PHE . 99.1 t . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.038 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 110.914 2.714 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 111.136 2.936 . 0.497 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 O4'-C1'-N19 110.995 2.795 . 0.209 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 O4'-C1'-N19 110.859 2.659 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.43 ' O6 ' ' N6 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.968 0 O4'-C1'-N19 110.976 2.776 . 0.314 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . 0.446 ' N6 ' ' HA ' ' A' ' 45' ' ' SER . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.292 3.102 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' ' G' . . . . . 0.532 ' N2 ' ' C4 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 O4'-C1'-N19 111.539 3.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.532 ' C4 ' ' N2 ' ' B' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.229 0 O4'-C1'-N19 111.753 3.553 . 0.064 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.208 3.008 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . 0.522 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 110.903 2.703 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' ' U' . . . . . 0.522 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 111.095 2.895 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C3'-C2'-C1' 104.185 2.983 . 0.285 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ' C' . . . . . 0.444 ' C4 ' ' O2 ' ' B' ' 29' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.705 -2.53 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 O4'-C1'-N19 110.796 2.596 . 0.825 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 0 O4'-C1'-N19 111.129 2.929 . 0.609 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.08 2.88 . 0.194 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' ' A' . . . . . 0.468 " O2'" " C5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C3'-C2'-C1' 104.378 3.198 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . 0.468 " C5'" " O2'" ' B' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 110.99 2.79 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.067 2.867 . 0.307 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 110.999 2.799 . 0.091 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.934 0 O4'-C1'-N19 110.913 2.713 . 0.377 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . 0.458 ' N2 ' ' CB ' ' A' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 O4'-C1'-N19 110.904 2.704 . 0.025 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' ' C' . . . . . 0.446 ' C6 ' ' HE3' ' A' ' 87' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C1'-N19 110.861 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . 0.458 ' C8 ' ' CE2' ' A' ' 55' ' ' PHE . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 110.857 2.657 . 0.471 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O4'-C1'-N19 111.533 3.333 . 0.233 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 O4'-C1'-N19 111.194 2.994 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 O4'-C1'-N19 111.318 3.118 . 0.054 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' ' G' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 111.05 2.85 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 111.175 2.975 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 110.891 2.691 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 10.9 t -73.74 -46.31 7.05 Favored Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.012 -1.055 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 36.4 Cg_endo -79.04 149.68 22.68 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.026 1.151 . . . . 0.0 110.396 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.05 172.79 8.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.027 -1.046 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.53 77.25 1.5 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 109.698 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 1.1 mtm180 -104.89 154.33 38.71 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.096 -1.003 . . . . 0.0 109.306 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.64 137.25 16.08 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.871 1.714 . . . . 0.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m120 -147.39 170.75 16.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.631 -179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -94.0 -40.22 10.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.103 -0.998 . . . . 0.0 109.733 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.429 ' OG1' ' HB3' ' A' ' 90' ' ' SER . 59.5 m -99.84 124.79 45.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.018 -1.051 . . . . 0.0 109.434 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.403 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 3.6 pt -88.1 164.43 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.971 -1.08 . . . . 0.0 109.23 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -131.99 133.88 44.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 -179.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 16' ' ' LEU . 3.5 mt -120.29 147.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.171 179.682 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 16' ' ' LEU . 17.2 p-10 -140.34 -175.14 4.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.968 -1.083 . . . . 0.0 109.349 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.3 t30 61.6 43.49 9.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 HG22 ' A' ' 13' ' ' ILE . 11.0 mp -96.32 -179.84 4.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.097 -1.002 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.8 m120 -80.22 152.13 29.29 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.061 -1.024 . . . . 0.0 109.336 179.818 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.39 41.12 1.35 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.0 109.506 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -153.07 38.07 0.5 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.958 -1.088 . . . . 0.0 109.917 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.689 HD13 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -111.59 156.78 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.058 -1.026 . . . . 0.0 109.775 -179.672 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 20' ' ' ILE . 34.0 mtpt -90.98 -178.93 5.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.156 179.055 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -82.48 -35.86 27.04 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.052 . . . . 0.0 109.908 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.08 -12.37 60.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.986 -1.071 . . . . 0.0 109.915 179.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 3.6 tt0 -93.67 -44.38 8.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.611 -1.306 . . . . 0.0 110.083 -179.74 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 20' ' ' ILE . 8.2 tp -71.18 -32.44 68.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.001 -1.062 . . . . 0.0 110.527 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -77.65 -27.36 50.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.757 -1.214 . . . . 0.0 110.261 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -31.0 57.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.524 -1.36 . . . . 0.0 110.135 179.766 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -36.9 30.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.742 -1.224 . . . . 0.0 110.443 -179.436 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 89.1 mt -69.91 -42.72 72.98 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.798 -1.189 . . . . 0.0 109.571 -179.651 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' NE2' ' HB ' ' A' ' 39' ' ' ILE . 11.4 t-80 -66.79 -27.6 67.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.206 -0.934 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . -75.76 -66.97 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.698 -1.251 . . . . 0.0 110.053 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -56.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 0.0 111.306 -178.635 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 50.7 m-85 -59.33 -37.39 77.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.827 -1.171 . . . . 0.0 110.999 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 30' ' ' HIS . 28.5 p -61.2 -33.72 73.92 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.803 -1.185 . . . . 0.0 110.8 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -50.78 -37.36 41.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.656 -1.278 . . . . 0.0 110.404 -179.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.1 -55.03 11.97 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.93 -1.106 . . . . 0.0 109.707 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.11 -128.28 1.94 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -123.42 139.08 54.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.119 -1.224 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.446 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 63.5 mt -105.77 129.58 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.998 -1.064 . . . . 0.0 109.513 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 92' ' ' ILE . 3.6 mp -75.7 -39.92 56.6 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.101 -1.0 . . . . 0.0 109.569 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.34 162.62 2.94 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.118 -0.989 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 55' ' ' PHE . 36.8 mt -132.92 132.62 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.055 -1.028 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.43 115.22 30.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.046 -1.034 . . . . 0.0 109.382 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.8 159.87 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.12 -0.988 . . . . 0.0 109.036 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.446 ' HA ' ' N6 ' ' B' ' 24' ' ' ' A' . 0.4 OUTLIER -131.12 152.35 50.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.002 -1.061 . . . . 0.0 109.583 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HB3' ' N7 ' ' B' ' 24' ' ' ' A' . 3.5 ttt85 -148.93 35.19 0.75 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.03 -1.044 . . . . 0.0 110.031 179.882 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p -111.3 172.11 7.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 108.863 179.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' HB2' " O4'" ' B' ' 25' ' ' ' G' . 3.7 tt -61.15 -57.73 11.27 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.832 -1.167 . . . . 0.0 109.602 -179.694 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -55.95 -41.49 74.76 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.968 -1.082 . . . . 0.0 109.562 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 mtt -105.84 59.93 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' CB ' ' N2 ' ' B' ' 42' ' ' ' G' . 0.1 OUTLIER -105.38 130.33 53.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.459 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 39.65 49.09 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.71 146.51 25.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.045 -1.268 . . . . 0.0 109.783 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.68 172.87 12.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.08 -1.012 . . . . 0.0 109.886 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.8 m-85 -133.59 138.75 46.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.066 -1.021 . . . . 0.0 108.933 179.779 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' CG1' ' A' ' 11' ' ' ILE . 59.5 t -124.02 138.96 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.874 -1.141 . . . . 0.0 109.78 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HG12 ' A' ' 92' ' ' ILE . 6.5 mt -113.93 123.17 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.94 -1.1 . . . . 0.0 108.959 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 3.9 m-85 -100.58 153.85 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.03 . . . . 0.0 109.46 -179.765 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HA ' HD13 ' A' ' 40' ' ' LEU . 20.9 ttmt -61.3 -41.06 96.34 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 109.113 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -124.75 152.82 43.32 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 8' ' ' ASN . 46.7 t -61.41 -34.49 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.143 -0.973 . . . . 0.0 110.078 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -57.99 -36.17 72.26 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.838 -1.164 . . . . 0.0 110.38 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 1.1 m -63.55 -36.96 85.52 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.749 -1.22 . . . . 0.0 110.218 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.59 -22.91 58.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.914 -1.117 . . . . 0.0 110.048 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.465 ' CA ' ' OH ' ' A' ' 85' ' ' TYR . 21.7 m -71.43 -42.3 68.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.78 -1.2 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -67.35 -42.26 83.8 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.109 -0.995 . . . . 0.0 109.084 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -58.57 -35.39 72.31 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.076 -1.015 . . . . 0.0 109.798 179.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tp -66.48 -45.54 79.29 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.816 -1.177 . . . . 0.0 109.518 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 8.92 25.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.062 -1.024 . . . . 0.0 111.745 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t -99.16 -43.68 6.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.377 -1.452 . . . . 0.0 109.802 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -107.1 37.89 2.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.003 -1.061 . . . . 0.0 109.815 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.44 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.887 -1.133 . . . . 0.0 109.172 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.05 64.5 3.23 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.39 167.83 11.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.025 -1.28 . . . . 0.0 109.788 -179.4 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -78.1 132.37 11.53 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 121.847 1.698 . . . . 0.0 110.425 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 19.0 t80 -127.3 -60.8 1.18 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.991 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.559 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 2.9 m-85 -124.53 68.94 1.09 Allowed 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.078 -1.014 . . . . 0.0 109.066 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.44 41.7 18.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.001 -1.062 . . . . 0.0 109.433 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -177.65 154.15 1.01 Allowed Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.083 -1.011 . . . . 0.0 109.887 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.81 149.9 26.71 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 C-N-CA 121.703 1.602 . . . . 0.0 110.007 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.6 139.15 18.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.936 -1.102 . . . . 0.0 110.397 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.92 143.24 34.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 108.541 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.33 137.39 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.993 -1.067 . . . . 0.0 110.465 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.72 134.38 47.59 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' OH ' ' CA ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -50.06 157.24 0.66 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.901 -1.124 . . . . 0.0 109.851 -179.389 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' HA ' ' N3 ' ' B' ' 43' ' ' ' C' . . . -80.91 169.03 18.07 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.522 -179.738 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HE3' ' C6 ' ' B' ' 43' ' ' ' C' . 34.9 mttt -90.67 -40.85 11.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.189 -0.945 . . . . 0.0 109.235 179.678 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.6 p -106.97 178.97 4.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.313 179.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -109.75 170.69 7.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.957 -1.089 . . . . 0.0 109.498 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.429 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 2.4 p -99.46 161.11 13.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.01 . . . . 0.0 109.402 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.27 0.56 34.53 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.075 -1.016 . . . . 0.0 111.06 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.874 HG12 HD13 ' A' ' 57' ' ' ILE . 2.0 pp -63.76 -30.16 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.49 -1.381 . . . . 0.0 107.641 177.719 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.82 HG22 ' HE1' ' A' ' 96' ' ' MET . 3.2 mm -58.25 -42.53 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' THR . . . -58.38 -46.73 85.79 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.353 -0.842 . . . . 0.0 109.052 178.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -44.77 -33.29 1.84 Allowed 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.058 -1.026 . . . . 0.0 111.644 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.82 ' HE1' HG22 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -63.09 167.02 5.28 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.305 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? 51.27 27.58 3.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.923 -1.111 . . . . 0.0 109.846 -179.301 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.26 64.36 4.08 Favored Glycine 0 N--CA 1.483 1.824 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.091 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 94' ' ' ALA . 1.7 t 40.94 101.35 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.835 -0.803 . . . . 0.0 111.864 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 t80 50.03 -176.49 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.058 -1.026 . . . . 0.0 110.553 178.728 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 120.919 -1.113 . . . . 0.0 109.029 -179.833 . . . . . . . . 0 0 . 1 stop_ save_